SCHEMBL507152

SCHEMBL507152

NCc1ccc(Oc2cccc(Cl)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 3/20 0.62
MAOB P27338 5/20 0.60
PNMT P11086 1/20 0.57
TAAR1 Q96RJ0 2/20 0.55
MEN1 O00255 1/20 0.47
MITF O75030 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
GFER P55789 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NLRP1 Q9C000 1/20 0.47
NOD2 Q9HC29 1/20 0.47
SCN5A Q14524 1/20 0.46
SCN9A Q15858 1/20 0.46
LPAR1 Q92633 1/20 0.45
LPAR5 Q9H1C0 1/20 0.45
WDR5 P61964 1/20 0.45
AR P10275 1/20 0.44

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
SCHEMBL921661 0.89 PNMT (0.68) ST14MAOBPNMTTAAR1WDR5
SCHEMBL1048214 0.88 MAOB (0.61) ST14MAOBTAAR1MEN1MITF
SCHEMBL10715309 0.86 MAPT (0.54) MAOBMEN1MITFALDH1A1GAA
SCHEMBL9502764 0.85 LPAR1 (0.45) ST14MAOBMEN1MITFALDH1A1
SCHEMBL32670495 0.85 LPAR1 (0.45) ST14MAOBMEN1MITFALDH1A1
SCHEMBL921403 0.85 ST14 (0.73) ST14MAOBPNMTTAAR1ALDH1A1
SCHEMBL9428779 0.84 LPAR1 (0.44) ST14MAOBMEN1MITFALDH1A1
SCHEMBL921786 0.84 ALDH1A1 (0.55) ST14MAOBPNMTMEN1MITF
SCHEMBL12603799 0.84 ALDH1A1 (0.48) MAOBALDH1A1KMT2ASMN1; SMN2SCN5A
SCHEMBL921428 0.82 ST14 (0.68) ST14MAOBPNMTTAAR1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 EP disclosed
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
EP-2479168-A1 6-Substituted 2,3,4,5-Tetrahydro-1H-Benzo [d]Azepines as 5-HT2C Receptor Agonists ELI LILLY AND COMPANY (US) 2012-07-25 EP disclosed
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 US disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 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 (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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 ST14 1400/4885MAOB 455/4885PNMT 460/4885
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 ST14 708/4885MAOB 3730/4885PNMT 644/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A ST14 1324/4885MAOB 194/4885PNMT 421/4885

“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.