SCHEMBL2585962

SCHEMBL2585962

O=C(Nc1nc(-c2ccc(CNc3c(Cl)ccc4c3CCN(C(=O)C(F)(F)F)CC4)cc2)cs1)C1CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.48
KDM4E B2RXH2 2/20 0.42
RAB9A P51151 8/20 0.39
NPC1 O15118 5/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
LMNA P02545 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 3/20 0.38
HTT P42858 2/20 0.38
NR2F2 P24468 1/20 0.38
ROCK2 O75116 2/20 0.37
ROCK1 Q13464 2/20 0.37
POLB P06746 3/20 0.37
FAAH O00519 2/20 0.36
EPHX2 P34913 2/20 0.36
CHKA P35790 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MRE11 P49959 1/20 0.36

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
SCHEMBL2584775 0.89 WNK1 (0.42) ABL1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL2586198 0.88 MAPT (0.36) ABL1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL2581898 0.85 RAB9A (0.36) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL2578990 0.83 ABL1 (0.53) ABL1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL2590568 0.83 ALDH1A1 (0.40) MEN1KMT2AMAPTPOLBEPHX2
SCHEMBL2591618 0.81 PTPN1 (0.39) MEN1KMT2AMAPTALDH1A1
SCHEMBL506885 0.80 GPR142 (0.43) MEN1KMT2A
SCHEMBL2584206 0.80 USP2 (0.37) ABL1RAB9ANPC1MEN1KMT2A
Succinic Acid SCHEMBL2578391 0.80 ABL1 (0.49) ABL1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL506344 0.78 ESR1 (0.44) SMN1; SMN2LMNAKMT2AHTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680091-B2 6-arylalkylamino-2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2014-03-25 US disclosed
EP-1924561-B1 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2012-11-14 EP disclosed
US-20110269745-A1 6-ARYLALKYLAMINO-2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2011-11-03 US disclosed
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-10-30 US disclosed
EP-1924561-A2 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS Eli Lilly & Company (US) 2008-05-28 EP disclosed
WO-2007028083-A2 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2007-03-08 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 (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-20110269745-A1 6-ARYLALKYLAMINO-2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR1A, HTR2A ABL1 2497/4885KDM4E 1098/4885RAB9A 2004/4885
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR1A, HTR2A ABL1 2497/4885KDM4E 1098/4885RAB9A 2004/4885

“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.