SCHEMBL3630293

SCHEMBL3630293

COC(=O)c1cccc2c1NCCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.50
ALOX5 P09917 1/20 0.43
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41
TRPA1 O75762 4/20 0.41
ALDH1A1 P00352 1/20 0.40
CFTR P13569 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PARP1 P09874 1/20 0.39
PKN1 Q16512 1/20 0.39
PKN2 Q16513 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL31562070 0.91 KDM4E (0.45) SRCALOX5KDM4EPOLBATM
SCHEMBL10661545 0.91 KDM4E (0.45) SRCALOX5KDM4EPOLBATM
SCHEMBL988070 0.84 TSHR (0.50) SRCKDM4EPOLBATMTSHR
SCHEMBL3729724 0.83 SRC (0.50) SRCKDM4EALDH1A1MAPTDRD2
Trifluoroacetic Acid SCHEMBL17802207 0.82 ALOX5 (0.39) ALOX5KDM4EPOLBATMTSHR
SCHEMBL1520555 0.81 SRC (0.51) SRCALOX5KDM4EALDH1A1HSD17B10
SCHEMBL30647012 0.81 SRC (0.51) SRCALOX5KDM4EALDH1A1HSD17B10
SCHEMBL3500046 0.81 SRC (0.40) SRCKDM4EPOLBATMTSHR
SCHEMBL5535285 0.80 SRC (0.50) SRCKDM4EHSD17B10PARP1MAPT
SCHEMBL3060700 0.79 CRBN (0.45) ALOX5TSHRLMNATRPA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070060757-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED INC. (CA) 2007-03-15 US claimed
US-20050080267-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED, INC. (CA) 2005-04-14 US claimed
EP-1487795-A4 SYNTHESIS OF ENANTIOMERICALLY PURE AMINO-SUBSTITUTED FUSED BICYCLIC RINGS ANORMED INC (CA) 2005-02-09 EP claimed
EP-1487795-A2 SYNTHESIS OF ENANTIOMERICALLY PURE AMINO-SUBSTITUTED FUSED BICYCLIC RINGS ANORMED INC. (CA) 2004-12-22 EP claimed
US-20030114679-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED CORPORATION (CA) 2003-06-19 US claimed
WO-2003022785-A2 SYNTHESIS OF ENANTIOMERICALLY PURE AMINO-SUBSTITUTED FUSED BICYCLIC RINGS ANORMED INC. (CA) 2003-03-20 WO claimed
EP-2144898-A2 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME Sumitomo Chemical Company, Limited (JP) 2010-01-20 EP disclosed
CN-101353324-A Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED INC (CA) 2009-01-28 CN disclosed
US-7452994-B2 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED, INC. (CA) 2008-11-18 US disclosed
US-7452994-B2 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED, INC. (CA) 2008-11-18 US disclosed
US-7452994-B2 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED, INC. (CA) 2008-11-18 US disclosed
WO-2008130021-A2 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-30 WO disclosed
CN-100412062-C Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED INC (CA) 2008-08-20 CN disclosed
US-20050080267-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED, INC. (CA) 2005-04-14 US disclosed
EP-1487795-A4 SYNTHESIS OF ENANTIOMERICALLY PURE AMINO-SUBSTITUTED FUSED BICYCLIC RINGS ANORMED INC (CA) 2005-02-09 EP disclosed
EP-1487795-A2 SYNTHESIS OF ENANTIOMERICALLY PURE AMINO-SUBSTITUTED FUSED BICYCLIC RINGS ANORMED INC. (CA) 2004-12-22 EP disclosed
US-6825351-B2 SELECTIVE HYDROGENATION OF AMINO-SUBSTITUTED FUSED BICYCLIC AROMATIC RING SYSTEM, PREPARATION OF RACEMIC AMINO SUBSTITUTED FUSED BICYCLIC RING SYSTEM VIA NITROSATION, ENZYMATIC RESOLUTION OF RACEMIC MIXTURE TO PRODUCE (R)- AND (S)-FORMS ANORMED, INC. (CA) 2004-11-30 US disclosed
EP-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP disclosed
US-20030114679-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED CORPORATION (CA) 2003-06-19 US disclosed
WO-2003022785-A2 SYNTHESIS OF ENANTIOMERICALLY PURE AMINO-SUBSTITUTED FUSED BICYCLIC RINGS ANORMED INC. (CA) 2003-03-20 WO 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 (3 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-20030114679-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings CBR1, POR, CBR3 SRC 2768/4885ALOX5 930/4885KDM4E 1442/4885
US-20070060757-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings CBR1, POR, CBR3 SRC 2768/4885ALOX5 930/4885KDM4E 1442/4885
US-20050080267-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings CBR1, POR, CBR3 SRC 2768/4885ALOX5 930/4885KDM4E 1442/4885

“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.