SCHEMBL4411955

SCHEMBL4411955

CC(=O)Nc1nccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.53
CYP2A6 P11509 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
MAP3K7 O43318 1/20 0.46
MAP3K6 O95382 1/20 0.46
MAP3K5 Q99683 1/20 0.46
BRD4 O60885 1/20 0.45
CREBBP Q92793 1/20 0.45
CNR2 P34972 1/20 0.45
RAB9A P51151 2/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 2/20 0.43
NPC1 O15118 1/20 0.43
ABCC9 O60706 1/20 0.43

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
SCHEMBL3764575 0.85 MAPT (0.56) FDPSKDM4EALDH1A1HPGDRAB9A
SCHEMBL7599559 0.84 FDPS (0.54) FDPSCYP2A6KDM4EALDH1A1HPGD
SCHEMBL29825764 0.84 FDPS (0.54) FDPSCYP2A6KDM4EALDH1A1HPGD
SCHEMBL2361181 0.83 KDM4E (0.56) FDPSCYP2A6KDM4EALDH1A1HPGD
SCHEMBL10051128 0.83 FDPS (0.53) FDPSCYP2A6KDM4EALDH1A1HPGD
SCHEMBL31606592 0.82 KMT2A (0.50) FDPSCYP2A6KDM4EALDH1A1HPGD
SCHEMBL19538874 0.82 FDPS (0.52) FDPSCYP2A6KDM4EALDH1A1HPGD
SCHEMBL4410540 0.82 KMT2A (0.50) FDPSCYP2A6KDM4EALDH1A1HPGD
SCHEMBL5380631 0.81 FDPS (0.51) FDPSCYP2A6KDM4EALDH1A1HPGD
SCHEMBL5874038 0.80 ADORA3 (0.62) FDPSCNR2RAB9AKMT2AMEN1

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
EP-1730141-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES Pfizer Limited (GB) 2006-12-13 EP claimed
WO-2005092887-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2005-10-06 WO claimed
EP-3204360-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-08-26 EP disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
WO-2016055028-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-04-14 WO disclosed
US-9029378-B2 Substituted bicyclic aromatic carboxamide and urea compounds as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-05-12 US disclosed
US-20130029995-A1 Substituted Bicyclic Aromatic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2013-01-31 US disclosed
US-20120108815-A1 BIFUNCTIONAL/POLYFUNCTIONAL DOPAMINE D2/D3 AGONIST AS NEUROPROTECTIVE AGENTS FOR TREATMENT OF NEURODEGENERATIVE DISEASES WAYNE STATE UNIVERSITY (US) 2012-05-03 US disclosed
US-7605215-B2 Process for producing olefin copolymerization catalyst and process for producing olefin copolymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-10-20 US 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
WO-2005092887-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2005-10-06 WO disclosed
WO-2005092841-A1 COMPOUNDS HAVING BETA-AGONIST ACTIVITY PFIZER LIMITED (GB) 2005-10-06 WO disclosed
CN-1608052-A Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED INC (CA) 2005-04-20 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
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 (5 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 FDPS 203/4885CYP2A6 205/4885KDM4E 1442/4885
US-20120108815-A1 BIFUNCTIONAL/POLYFUNCTIONAL DOPAMINE D2/D3 AGONIST AS NEUROPROTECTIVE AGENTS FOR TREATMENT OF NEURODEGENERATIVE DISEASES DRD3, DRD2, SLC6A3 FDPS 4620/4885CYP2A6 3834/4885KDM4E 4220/4885
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, CREBBP, HDAC1 FDPS 2934/4885CYP2A6 3421/4885KDM4E 387/4885
US-20050080267-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings CBR1, POR, CBR3 FDPS 203/4885CYP2A6 205/4885KDM4E 1442/4885
US-20130029995-A1 Substituted Bicyclic Aromatic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands TRPV1, TRPV2, TRPV4 FDPS 2990/4885CYP2A6 2826/4885KDM4E 2618/4885

“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.