SCHEMBL297736

SCHEMBL297736

CCN(CC)c1cccc2[c]cccc12

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.33
SLC40A1 Q9NP59 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
HIF1A Q16665 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
ACHE P22303 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL297213 0.87 AR (0.33) ARSLC40A1L3MBTL1ACHEALDH1A1
SCHEMBL4014825 0.86 CRHR1 (0.37)
SCHEMBL297647 0.83 CRHR1 (0.36) CYP1A2HTTALDH1A1MAPTMAPK1
SCHEMBL226938 0.79 CHEK1 (0.42) L3MBTL1CYP1A2CYP2C19HTTHIF1A
SCHEMBL8911526 0.78
SCHEMBL29861910 0.78 L3MBTL1 (0.43) ARSLC40A1L3MBTL1CYP1A2CYP2C19
SCHEMBL297631 0.75 KDM4E (0.31) L3MBTL1CYP1A2CYP2C19TDP1SIGMAR1
SCHEMBL8315877 0.74 CA2 (0.30)
SCHEMBL3754251 0.73 TSHR (0.31) L3MBTL1TDP1ALDH1A1CYP3A4MAPK1
SCHEMBL6455528 0.73 AR (0.33) ARL3MBTL1TDP1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6136825-A ANTIDEPRESSANTS AND CENTRAL NERVOUS SYSTEM AGENTS KNOLL AKTIENGESELLSCHAFT 2000-10-24 US claimed
EP-0948498-A1 SULFONAMIDE COMPOUNDS HAVING 5-HT RECEPTOR ACTIVITY KNOLL AKTIENGESELLSCHAFT (DE) 1999-10-13 EP claimed
WO-1998029411-A1 SULFONAMIDE COMPOUNDS HAVING 5-HT RECEPTOR ACTIVITY KNOLL AKTIENGESELLSCHAFT (DE) 1998-07-09 WO claimed
US-4104392-A N2 -naphthalenesulfonyl-L-argininamides and the pharmaceutically acceptable salts thereof, and antithrombotic compositions and methods employing them MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1978-08-01 US claimed
US-4096255-A ANTICOAGULANTS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-06-20 US claimed
US-4073916-A THROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-02-14 US claimed
US-4072744-A SUPPRESSION OF THROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-02-07 US claimed
US-4069329-A INHIBITION AND SUPPRESSION OF THROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-01-17 US claimed
US-4062963-A N2 -naphthalenesulfonyl-L-arginine derivatives, and the pharmaceutically acceptable acid addition salts thereof MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1977-12-13 US claimed
US-4036955-A TREATMENT OF THROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1977-07-19 US claimed
US-20120220775-A1 ENANTIOSELECTIVE PREPARATION OF QUINOLINE DERIVATIVES LOHSE OLIVIER (FR) 2012-08-30 US disclosed
EP-1501897-B1 METHOD FOR THE PRODUCTION OF PERYLEN-3,4:9,10-TETRACARBOXYLIC ACID DIIMIDES AND PERYLEN-3,4:9,10-TETRACARBOXYLIC ACID DIANHYDRIDE AND NAPHTALENE-1,8-DICARBOXYLIMIDES BASF SE (DE) 2012-03-14 EP disclosed
US-7807836-B2 Preparation of perylen-3,4:9,10-tetracarboxylic dianhydride and also of naphtalene-1,8-dicarboximides BASF AKTIENGESELLSCHAFT (DE) 2010-10-05 US disclosed
CN-1968927-B Method for enantiomer selective preparation for quinoline derivative NOVARTIS AG 2010-07-21 CN disclosed
US-20090054653-A1 ENANTIOSELEKTIVE PREPARATION OF QUINOLINE DERIVATIVE LOHSE OLIVIER 2009-02-26 US disclosed
US-4069317-A INHIBITION AND SUPPRESSION OF THROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1978-01-17 US disclosed
US-4069329-A INHIBITION AND SUPPRESSION OF THROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-01-17 US disclosed
US-4062963-A N2 -naphthalenesulfonyl-L-arginine derivatives, and the pharmaceutically acceptable acid addition salts thereof MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1977-12-13 US disclosed
US-4049645-A ANTITHROMBOTIC AGENTS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1977-09-20 US disclosed
US-4036955-A TREATMENT OF THROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1977-07-19 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-20090054653-A1 ENANTIOSELEKTIVE PREPARATION OF QUINOLINE DERIVATIVE HAX1, OPRK1, OPRD1 AR 2722/4885SLC40A1 4576/4885L3MBTL1 325/4885
US-20120220775-A1 ENANTIOSELECTIVE PREPARATION OF QUINOLINE DERIVATIVES OPRM1, OPRD1, HAX1 AR 2746/4885SLC40A1 4527/4885L3MBTL1 386/4885

“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.