SCHEMBL10137831

SCHEMBL10137831

CC(C)CCCNC(=O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.67
NPC1 O15118 3/20 0.67
RAB9A P51151 3/20 0.67
NAAA Q02083 1/20 0.63
EPHX2 P34913 2/20 0.60
HDAC3 O15379 3/20 0.58
HDAC4 P56524 3/20 0.58
HDAC1 Q13547 3/20 0.58
HDAC7 Q8WUI4 3/20 0.58
HDAC2 Q92769 3/20 0.58
HDAC10 Q969S8 3/20 0.58
HDAC11 Q96DB2 3/20 0.58
HDAC8 Q9BY41 3/20 0.58
HDAC6 Q9UBN7 3/20 0.58
HDAC9 Q9UKV0 3/20 0.58
HDAC5 Q9UQL6 3/20 0.58
LMNA P02545 1/20 0.57
POLB P06746 1/20 0.57
KCNA5 P22460 1/20 0.56
GAA P10253 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12650598 0.95 NAAA (0.66) SMN1; SMN2NPC1RAB9ANAAAEPHX2
SCHEMBL20362840 0.94 RAB9A (0.64) SMN1; SMN2NPC1RAB9ANAAAEPHX2
SCHEMBL10099547 0.93 NAAA (0.69) SMN1; SMN2NPC1RAB9ANAAAEPHX2
SCHEMBL496789 0.89 SMN1; SMN2 (0.81) SMN1; SMN2NPC1RAB9ANAAAEPHX2
SCHEMBL10137835 0.88 NPC1 (0.60) SMN1; SMN2NPC1RAB9ANAAALMNA
SCHEMBL27512265 0.88 NAAA (0.61) SMN1; SMN2NPC1RAB9ANAAAEPHX2
SCHEMBL23996124 0.87 HDAC3 (0.59) SMN1; SMN2NPC1RAB9ANAAAEPHX2
SCHEMBL14144651 0.87 NAAA (0.59) SMN1; SMN2NPC1RAB9ANAAAEPHX2
SCHEMBL7099696 0.87 NAAA (0.59) SMN1; SMN2NPC1RAB9ANAAAEPHX2
SCHEMBL14742811 0.87 NAAA (0.59) SMN1; SMN2NPC1RAB9ANAAAEPHX2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226026-A1 BRANCHED TAIL LIPID COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS ARES CAPITAL CORPORATION, AS AGENT 2024-07-11 US disclosed
US-20240226026-A1 BRANCHED TAIL LIPID COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS ARES CAPITAL CORPORATION, AS AGENT 2024-07-11 US disclosed
US-20230365568-A1 PLK1 POLO BOX DOMAIN INHIBITORS AND METHOD OF TREATING CANCER THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-11-16 US disclosed
US-20230365568-A1 PLK1 POLO BOX DOMAIN INHIBITORS AND METHOD OF TREATING CANCER THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-11-16 US disclosed
US-11654143-B2 Therapeutic combinations of a BTK inhibitor, a PI3K inhibitor, a JAK-2 inhibitor, and/or a BCL-2 inhibitor ACERTA PHARMA B.V. (NL) 2023-05-23 US disclosed
WO-2022204288-A1 BRANCHED TAIL LIPID COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS MODERNATX, INC. (US) 2022-09-29 WO disclosed
US-20170231986-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, and/or a BCL-2 Inhibitor ACERTA PHARMA B.V. (NL) 2017-08-17 US disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-RE43298-E1 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2011-05-19 US disclosed
US-7531008-B2 Use of at least one cationic cyanin derivative for dyeing the hair, composition containing it, process for treating keratin fibers using the composition, and device therefor L'OREAL S.A. (FR) 2009-05-12 US disclosed
US-7427301-B2 Composition comprising at least one substituted carbocyanin derivative, process for treating keratin fibers using it, device therefor and use thereof L'ORéAL S.A. (FR) 2008-09-23 US disclosed
US-7425221-B2 Composition comprising at least one substituted derivative of carbocyanine, method for treating keratin fibers using it, device and use L'OREAL S.A. (FR) 2008-09-16 US disclosed
US-7419511-B2 Compositions comprising at least one substituted carbocyanin derivative, processes for treating keratin fibers using them, device therefor and uses thereof L'OREAL, S.A. (FR) 2008-09-02 US disclosed
US-7377946-B2 Composition comprising at least one substituted 2-[2-(4-amino phenyl)ethenyl]-1-pyridinium derivative, process for treating keratin fibres using it, device and use thereof L'ORÉAL (FR) 2008-05-27 US disclosed
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2007-10-04 US disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 US disclosed
US-20070143936-A1 Use of at least one cationic cyanin derivative for dyeing the hair, composition containing it, process for treating keratin fibers using the composition, and device therefor L'OREAL S.A. (FR) 2007-06-28 US disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 US disclosed
US-7169760-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-01-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170231986-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, and/or a BCL-2 Inhibitor BTK, JAK2, BCL9 SMN1; SMN2 4114/4885NPC1 4593/4885RAB9A 2131/4885
US-20070143936-A1 Use of at least one cationic cyanin derivative for dyeing the hair, composition containing it, process for treating keratin fibers using the composition, and device therefor KRT18, HKDC1, DSC1 SMN1; SMN2 4875/4885NPC1 4258/4885RAB9A 4783/4885
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP SMN1; SMN2 3286/4885NPC1 1099/4885RAB9A 2106/4885
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP SMN1; SMN2 3286/4885NPC1 1099/4885RAB9A 2106/4885
US-20240226026-A1 BRANCHED TAIL LIPID COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS PLTP, LNPK, PLIN3 SMN1; SMN2 1663/4885NPC1 42/4885RAB9A 1029/4885
US-11654143-B2 Therapeutic combinations of a BTK inhibitor, a PI3K inhibitor, a JAK-2 inhibitor, and/or a BCL-2 inhibitor BTK, JAK2, BCL9 SMN1; SMN2 4114/4885NPC1 4593/4885RAB9A 2131/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP SMN1; SMN2 3286/4885NPC1 1099/4885RAB9A 2106/4885
US-20230365568-A1 PLK1 POLO BOX DOMAIN INHIBITORS AND METHOD OF TREATING CANCER PLK1, PLK4, BUB1B SMN1; SMN2 2933/4885NPC1 3211/4885RAB9A 2849/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.