SCHEMBL507642

SCHEMBL507642

C=C(C)n1c(=O)n(CCCCl)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
ATM Q13315 1/20 0.57
TACR1 P25103 3/20 0.44
OPRM1 P35372 3/20 0.44
TSHR P16473 3/20 0.43
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL7148607 0.96 MEN1 (0.59) MEN1KMT2AATMTACR1OPRM1
SCHEMBL11196860 0.94 MEN1 (0.58) MEN1KMT2AATMTACR1OPRM1
SCHEMBL11198749 0.94 MEN1 (0.58) MEN1KMT2AATMTACR1OPRM1
SCHEMBL1185879 0.91 MEN1 (0.63) MEN1KMT2AATMTACR1OPRM1
SCHEMBL11634594 0.87 MEN1 (0.46) MEN1KMT2AATMTACR1OPRM1
SCHEMBL508219 0.85 MEN1 (0.57) MEN1KMT2AATMTACR1OPRM1
SCHEMBL11199179 0.83 MEN1 (0.52) MEN1KMT2AATMTACR1OPRM1
SCHEMBL11200633 0.83 MEN1 (0.52) MEN1KMT2AATMTACR1OPRM1
SCHEMBL14231423 0.83 MEN1 (0.54) MEN1KMT2AATMTACR1OPRM1
SCHEMBL1404741 0.83 MEN1 (0.54) MEN1KMT2AATMTACR1OPRM1

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 23 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
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-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-0058975-B1 SUBSTITUTED N-(4-INDOLYL-PIPERIDINO-ALKYL) BENZIMIDAZOLONES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL PREPARATIONS Boehringer Ingelheim Pharmaceuticals Inc. (US) 1984-12-12 EP disclosed
US-4377578-A ANTIANAPHYLACTIC AGENTS, ANTIHISTAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 1983-03-22 US disclosed
US-4359468-A ALSO USEFUL AS HYPOTENSIVE AGE NTS BOEHRINGER INGELHEIM LTD. (US) 1982-11-16 US disclosed
EP-0058975-A1 Substituted N-(4-indolyl-piperidino-alkyl) benzimidazolones, processes for their preparation and their use as pharmaceutical preparations Boehringer Ingelheim Pharmaceuticals Inc. (US) 1982-09-01 EP disclosed
US-4250176-A BENZIMIDAZOLE-2-ONE, BENZOTHIAZOL-2-ONE, OR BENZOXAZOL-2-ONE SUBSTITUTIONS, ANTIANAPHALACTIC AGENTS, ANTIHISTAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1981-02-10 US disclosed
US-4200641-A ANTIANAPHYLACTIC AGENTS, ANTIHISTAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 1980-04-29 US disclosed
US-4175129-A Antiemetic 1-(benzoxazolylalkyl)-piperidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1979-11-20 US disclosed
EP-0005318-A1 N-Heterocyclyl-4-piperidinamines, methods for their preparation, pharmaceutical compositions comprising them, intermediates therefor, and method for the preparation of the intermediates JANSSEN PHARMACEUTICA N.V. (BE) 1979-11-14 EP disclosed
US-4160836-A Antiemetic 1-(benzothiazolylalkyl)piperidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1979-07-10 US disclosed
US-4126688-A ANTIEMETIC 1-(BENZOTRIAZOLYL-ALKYL)-PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1978-11-21 US disclosed
US-4126687-A ANTIEMETIC, 1-(BENZIMIDAZOLYL-ALKYL)-PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1978-11-21 US disclosed
US-4110333-A ANTIEMETIC INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 1978-08-29 US disclosed
US-4066772-A ANTIEMETICS JANSSEN PHARMACEUTICA N.V. (BE) 1978-01-03 US disclosed
US-4035369-A 1-Benzazolylalkyl-4-substituted-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1977-07-12 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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 MEN1 3996/4885KMT2A 1239/4885ATM 3885/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A MEN1 3801/4885KMT2A 1218/4885ATM 3288/4885

“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.