SCHEMBL8396558

SCHEMBL8396558

O=C(NC1CCCCCC1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.73
RAB9A P51151 10/20 0.73
SMN1; SMN2 Q16637 4/20 0.69
HPGD P15428 2/20 0.69
CYP1A2 P05177 1/20 0.69
CYP2C19 P33261 1/20 0.69
NPSR1 Q6W5P4 2/20 0.67
KMT2A Q03164 3/20 0.66
MEN1 O00255 2/20 0.66
PKM P14618 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.63
KDM4E B2RXH2 3/20 0.62
ALDH1A1 P00352 2/20 0.62
LMNA P02545 2/20 0.62
HTT P42858 1/20 0.62
GFER P55789 1/20 0.60
HSD17B10 Q99714 1/20 0.60

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
SCHEMBL307051 1.00 NPC1 (0.73) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL23594174 1.00 NPC1 (0.73) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL5168314 1.00 NPC1 (0.73) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL24673320 1.00 NPC1 (0.73) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
Hydrochloric Acid SCHEMBL3747209 0.98 NPC1 (0.71) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
Hydrochloric Acid SCHEMBL6928283 0.98 NPC1 (0.71) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL161227 0.98 NPC1 (0.72) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL2316588 0.94 NPC1 (0.68) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL4042448 0.93 NPC1 (0.66) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL23861306 0.92 NPC1 (0.63) NPC1RAB9ASMN1; SMN2HPGDCYP1A2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113999131-B Method for preparing amide derivative by amination of alkyl C-H bond under catalysis of nickel promoted by visible light 苏州大学 2022-06-28 CN disclosed
CN-113999131-A Method for preparing amide derivative by amination of alkyl C-H bond under catalysis of nickel promoted by visible light 苏州大学 2022-02-01 CN disclosed
US-9382193-B2 Processes for forming amide bonds and compositions related thereto EMORY UNIVERSITY (US) 2016-07-05 US disclosed
US-9382193-B2 Processes for forming amide bonds and compositions related thereto EMORY UNIVERSITY (US) 2016-07-05 US disclosed
US-20150315129-A1 PROCESSES FOR FORMING AMIDE BONDS AND COMPOSITIONS RELATED THERETO NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-05 US disclosed
US-20150315129-A1 PROCESSES FOR FORMING AMIDE BONDS AND COMPOSITIONS RELATED THERETO NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-05 US disclosed
US-8921599-B2 Processes for forming amide bonds and compositions related thereto EMORY UNIVERSITY (US) 2014-12-30 US disclosed
US-8921599-B2 Processes for forming amide bonds and compositions related thereto EMORY UNIVERSITY (US) 2014-12-30 US disclosed
US-20120107902-A1 Processes For Forming Amide Bonds And Compositions Related Thereto EMORY UNIVERSITY (US) 2012-05-03 US disclosed
US-20120107902-A1 Processes For Forming Amide Bonds And Compositions Related Thereto EMORY UNIVERSITY (US) 2012-05-03 US disclosed
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 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 (2 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-20150315129-A1 PROCESSES FOR FORMING AMIDE BONDS AND COMPOSITIONS RELATED THERETO TMT1A, LPO, GSTO1 NPC1 4318/4885RAB9A 1801/4885SMN1; SMN2 3807/4885
US-20120107902-A1 Processes For Forming Amide Bonds And Compositions Related Thereto TMT1A, LPO, GSTO1 NPC1 4318/4885RAB9A 1801/4885SMN1; SMN2 3807/4885

“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.