SCHEMBL607818

SCHEMBL607818

CC(=O)N[C@@H]1CCCc2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.68
ALDH1A1 P00352 5/20 0.67
TAS1R3 Q7RTX0 3/20 0.66
TAS1R1 Q7RTX1 3/20 0.66
TAS1R2 Q8TE23 2/20 0.66
KMT2A Q03164 4/20 0.65
MEN1 O00255 2/20 0.65
EPHX1 P07099 1/20 0.65
LMNA P02545 2/20 0.62
HSD17B10 Q99714 1/20 0.61
KDM4E B2RXH2 1/20 0.61

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
SCHEMBL31301105 1.00 HTT (0.68) HTTALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL6445345 1.00 HTT (0.68) HTTALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL8340594 1.00 HTT (0.68) HTTALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL19658435 0.95 EPHX1 (0.63) HTTALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL600676 0.90 PDPK1 (0.61) HTTALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL2466144 0.90 PDPK1 (0.61) HTTALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL1988494 0.90 PDPK1 (0.61) HTTALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL8029932 0.90 PDPK1 (0.61) HTTALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL11266196 0.88 KMT2A (0.67) HTTALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL1568062 0.85 KMT2A (0.71) HTTALDH1A1TAS1R3TAS1R1TAS1R2

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-11912786-B2 Inhibitor of apoptosis protein (IAP) antagonists Sanford Burnham Prebys Medical Discovery Institute (US) 2024-02-27 US disclosed
US-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-03-07 US disclosed
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 US disclosed
US-20220119444-A1 Inhibitor of Apoptosis Protein (IAP) Antagonists Sanford Burnham Prebys Medical Discovery Institute 2022-04-21 US disclosed
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-12-16 US disclosed
US-11111270-B2 Inhibitor of apoptosis protein (IAP) antagonists Sanford Burnham Prebys Medical Discovery Institute (US) 2021-09-07 US disclosed
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-05-11 US disclosed
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-10-29 US disclosed
WO-2019178248-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-09-19 WO disclosed
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-02-14 US disclosed
US-8114991-B2 Used for the control of a range of harmful weeds BAYER CROPSCIENCE AG (DE) 2012-02-14 US disclosed
EP-2305655-A2 Amino-1,3,5-triazines N-substituted with chiral bicyclic radicals, process for their preparation, compositions thereof, and their use as herbicides and plant growth regulators. Bayer CropScience AG (DE) 2011-04-06 EP disclosed
US-20100292269-A1 BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2010-11-18 US disclosed
US-7592488-B2 Method for preparing optically active amines POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2009-09-22 US disclosed
US-7592488-B2 Method for preparing optically active amines POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2009-09-22 US disclosed
US-20090035830-A1 Method for Preparing Optically Active Amines POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2009-02-05 US disclosed
US-20090035830-A1 Method for Preparing Optically Active Amines POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2009-02-05 US disclosed
WO-2008144925-A1 IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS INC. (CA) 2008-12-04 WO disclosed
WO-2008128121-A1 SMAC MIMETIC DIMERS AND TRIMERS USEFUL AS ANTI-CANCER AGENTS JOYANT PHARMACEUTICALS, INC. (US) 2008-10-23 WO disclosed
US-20040157739-A1 Amino-1,3,5-triazines N-substituted with chiral bicyclic radicals, process for their preparation, compositions thereof, and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2004-08-12 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 (12 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-20040157739-A1 Amino-1,3,5-triazines N-substituted with chiral bicyclic radicals, process for their preparation, compositions thereof, and their use as herbicides and plant growth regulators CYP4Z1, IL4I1, BCAT1 HTT 2360/4885ALDH1A1 797/4885TAS1R3 1645/4885
US-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use ITGB1, ITGB2, ITGA2 HTT 4866/4885ALDH1A1 382/4885TAS1R3 943/4885
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE ITGB1, ITGB2, ITGA2 HTT 4866/4885ALDH1A1 382/4885TAS1R3 943/4885
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 HTT 1689/4885ALDH1A1 1598/4885TAS1R3 3777/4885
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 HTT 1689/4885ALDH1A1 1598/4885TAS1R3 3777/4885
US-20100292269-A1 BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC3, BIRC2 HTT 3072/4885ALDH1A1 3348/4885TAS1R3 2831/4885
US-20220119444-A1 Inhibitor of Apoptosis Protein (IAP) Antagonists API5, XIAP, BIRC5 HTT 2134/4885ALDH1A1 4556/4885TAS1R3 3612/4885
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 HTT 1760/4885ALDH1A1 1601/4885TAS1R3 3806/4885
US-11111270-B2 Inhibitor of apoptosis protein (IAP) antagonists API5, XIAP, BIRC5 HTT 2134/4885ALDH1A1 4556/4885TAS1R3 3612/4885
US-11912786-B2 Inhibitor of apoptosis protein (IAP) antagonists API5, XIAP, BIRC5 HTT 2134/4885ALDH1A1 4556/4885TAS1R3 3612/4885
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 HTT 1689/4885ALDH1A1 1598/4885TAS1R3 3777/4885
US-20090035830-A1 Method for Preparing Optically Active Amines CEL, NAAA, LIPA HTT 3582/4885ALDH1A1 482/4885TAS1R3 4346/4885

“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.