SCHEMBL874261

SCHEMBL874261

O=C(Cc1ccccc1)N1CCCC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.68
TDP1 Q9NUW8 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.67
HSD11B1 P28845 1/20 0.67
ALDH1A1 P00352 7/20 0.66
KDM4E B2RXH2 3/20 0.66
HPGD P15428 2/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
POLB P06746 2/20 0.65
USP2 O75604 1/20 0.63
GAA P10253 1/20 0.63
TSHR P16473 1/20 0.63
ME2 P23368 1/20 0.61
ME1 P48163 1/20 0.61
ME3 Q16798 1/20 0.61
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
MAPT P10636 1/20 0.58
TP53 P04637 1/20 0.58
LMNA P02545 1/20 0.58

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
SCHEMBL1492483 0.98 NPC1 (0.69) NPC1TDP1L3MBTL1HSD11B1ALDH1A1
SCHEMBL8599235 0.98 NPC1 (0.69) NPC1TDP1L3MBTL1HSD11B1ALDH1A1
Hydrochloric Acid SCHEMBL7223460 0.94 L3MBTL1 (0.65) NPC1TDP1L3MBTL1HSD11B1ALDH1A1
SCHEMBL3967794 0.92 HSD11B1 (0.77) L3MBTL1HSD11B1ALDH1A1KDM4EHPGD
SCHEMBL10722408 0.92 HSD11B1 (0.77) L3MBTL1HSD11B1ALDH1A1KDM4EHPGD
SCHEMBL5267307 0.86 HSD11B1 (0.70) L3MBTL1HSD11B1ALDH1A1KDM4EHPGD
SCHEMBL8672473 0.86 L3MBTL1 (0.56) NPC1TDP1L3MBTL1HSD11B1ALDH1A1
SCHEMBL4815795 0.85 NPC1 (0.51) NPC1TDP1L3MBTL1HSD11B1ALDH1A1
SCHEMBL2001609 0.85 L3MBTL1 (0.63) L3MBTL1HSD11B1ALDH1A1KDM4EHPGD
SCHEMBL8934952 0.85 HSD11B1 (0.68) L3MBTL1HSD11B1ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102427729-A Inhibitors of hepatitis c virus replication MERCK SHARP & DOHME 2012-04-25 CN claimed
WO-2025041809-A1 METHOD FOR PRODUCING DEUTERATED COMPOUND 国立大学法人九州大学 2025-02-27 WO disclosed
WO-2023105387-A1 MELANOCORTIN 4 RECEPTOR ANTAGONISTS AND USES THEREOF PFIZER INC. (US) 2023-06-15 WO disclosed
US-20230172961-A1 THERAPEUTICS FOR COVID-19 THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-06-08 US disclosed
US-20220111367-A1 HYDROGENATION CATALYST FOR USE IN HYDROGENATING AMIDE COMPOUND AND METHOD FOR PRODUCING AMINE COMPOUND USING SAME OSAKA UNIVERSITY (JP) 2022-04-14 US disclosed
US-9981910-B2 Substituted pyrrolidines and methods of use ABBVIE S.Á.R.L. (LU) 2018-05-29 US disclosed
EP-2499132-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-02-15 EP disclosed
US-9302989-B2 NAMPT and rock inhibitors ABBVIE INC. (US) 2016-04-05 US disclosed
US-9284270-B2 Boronic acid catalysts and methods of use thereof for activation and transformation of carboxylic acids THE GOVERNERS OF THE UNIVERSITY OF ALBERTA (CA) 2016-03-15 US disclosed
US-9284270-B2 Boronic acid catalysts and methods of use thereof for activation and transformation of carboxylic acids THE GOVERNERS OF THE UNIVERSITY OF ALBERTA (CA) 2016-03-15 US disclosed
US-20110195044-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
WO-2011082077-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-07 WO disclosed
WO-2011075607-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-06-23 WO disclosed
US-20100197960-A1 METHOD FOR THE ORGANOCATALYTIC ACTIVATION OF CARBOXYLIC ACIDS FOR CHEMICAL, REACTIONS USING ORTHOSUBSTITUTED ARYLBORONIC ACIDS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2010-08-05 US disclosed
US-20100197960-A1 METHOD FOR THE ORGANOCATALYTIC ACTIVATION OF CARBOXYLIC ACIDS FOR CHEMICAL, REACTIONS USING ORTHOSUBSTITUTED ARYLBORONIC ACIDS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2010-08-05 US disclosed
EP-1893573-B1 INHIBITORS OF HCV REPLICATION BRISTOL MYERS SQUIBB CO (US) 2010-07-21 EP disclosed
CN-100569736-C Produce the method for amino acid derivative SOLVAY (BE) 2009-12-16 CN disclosed
WO-2009030022-A1 METHOD FOR THE ORGANOCATALYTIC ACTIVATION OF CARBOXYLIC ACIDS FOR CHEMICAL REACTIONS USING ORTHOSUBSTITUTED ARYLBORONIC ACIDS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2009-03-12 WO disclosed
CN-1768030-A Process for producing amino acid derivatives SOLVAY (BE) 2006-05-03 CN disclosed
EP-0657454-A1 Imidazopyridazines being angiotensin II antagonists MERCK PATENT GmbH (DE) 1995-06-14 EP 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 (4 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-20100197960-A1 METHOD FOR THE ORGANOCATALYTIC ACTIVATION OF CARBOXYLIC ACIDS FOR CHEMICAL, REACTIONS USING ORTHOSUBSTITUTED ARYLBORONIC ACIDS AOC2, AOC3, OXER1 NPC1 3057/4885TDP1 2660/4885L3MBTL1 1802/4885
US-20230172961-A1 THERAPEUTICS FOR COVID-19 ACE, ACE2, PNP NPC1 1142/4885TDP1 192/4885L3MBTL1 1239/4885
US-20110195044-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS NPC1 65/4885TDP1 3331/4885L3MBTL1 3763/4885
US-20220111367-A1 HYDROGENATION CATALYST FOR USE IN HYDROGENATING AMIDE COMPOUND AND METHOD FOR PRODUCING AMINE COMPOUND USING SAME SUV39H2, SUV39H1, HRH3 NPC1 4484/4885TDP1 3043/4885L3MBTL1 4666/4885

“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.