SCHEMBL507164

SCHEMBL507164

NCc1ccc(C(=O)N2CCCCC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.71
ALDH1A1 P00352 6/20 0.71
CA12 O43570 2/20 0.58
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CA7 P43166 2/20 0.58
CA9 Q16790 2/20 0.58
CA14 Q9ULX7 2/20 0.58
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
LMNA P02545 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
KLKB1 P03952 1/20 0.57
KLK1 P06870 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TSHR P16473 1/20 0.56
MAOA P21397 1/20 0.55
HRH3 Q9Y5N1 1/20 0.55
MAPT P10636 3/20 0.55

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
SCHEMBL25710940 0.98 HPGD (0.68) HPGDALDH1A1CA12CA1CA2
SCHEMBL18765947 0.95 HPGD (0.62) HPGDALDH1A1CA12CA1CA2
SCHEMBL23840713 0.86 HPGD (0.67) HPGDALDH1A1CA12CA1CA2
SCHEMBL7132525 0.84 HPGD (1.00) HPGDALDH1A1CA12CA1CA2
SCHEMBL27479149 0.84 HPGD (1.00) HPGDALDH1A1CA12CA1CA2
SCHEMBL23840665 0.84 HPGD (0.63) HPGDALDH1A1CA12CA1CA2
SCHEMBL5797269 0.84 HPGD (0.74) HPGDALDH1A1CA12CA1CA2
SCHEMBL19634704 0.83 HPGD (0.60) HPGDALDH1A1NPC1RAB9ALMNA
SCHEMBL19580519 0.83 PHGDH (0.63) HPGDALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL2377726 0.83 HRH3 (0.64) HPGDNPC1LMNASMN1; SMN2MEN1

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 21 patents — showing the first 20. 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
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
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
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
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-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-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-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-20090131412-A1 NOVEL 2-QUINOLONE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-05-21 US disclosed
US-20090131412-A1 NOVEL 2-QUINOLONE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-05-21 US 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
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
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
EP-1908752-A1 NOVEL 2-QUINOLONE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-04-09 EP disclosed
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 HPGD 3805/4885ALDH1A1 866/4885CA12 3809/4885
US-20090131412-A1 NOVEL 2-QUINOLONE DERIVATIVE SCN1B, OPRL1, SCN1A HPGD 933/4885ALDH1A1 2231/4885CA12 4873/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A HPGD 3744/4885ALDH1A1 500/4885CA12 4805/4885

“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.