SCHEMBL2369974

SCHEMBL2369974

O=C(C1CNCCc2c1ccc(Br)c2O)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 10/20 0.35
DRD2 P14416 7/20 0.35
KDM1A O60341 4/20 0.35
HTR2C P28335 5/20 0.32
HTR2A P28223 4/20 0.32
HTR2B P41595 4/20 0.32
DRD5 P21918 2/20 0.32
KDM4E B2RXH2 4/20 0.30
RECQL P46063 3/20 0.30
CYP3A4 P08684 2/20 0.30
CYP2D6 P10635 2/20 0.30
NFKB1 P19838 2/20 0.30
THPO P40225 2/20 0.30
HIF1A Q16665 2/20 0.30
HSD17B10 Q99714 2/20 0.30
BLM P54132 2/20 0.30
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
MTOR P42345 1/20 0.30

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
SCHEMBL2369359 0.71 HTR2C (0.50) DRD1DRD2KDM1AHTR2CHTR2A
SCHEMBL15362163 0.64 HTR2C (0.39) DRD1DRD2KDM1AHTR2CHTR2A
SCHEMBL12227589 0.63 F2 (0.34) KDM1ASLC6A2SLC6A3
SCHEMBL507349 0.57 ESR1 (0.51) PKM
Trifluoroacetic Acid SCHEMBL18862968 0.54 KDM1A (0.40) KDM1ACYP3A4CYP2D6CYP1A2MAPT
SCHEMBL5768853 0.53 BCL2L1 (0.47) HTR2CHTR2AHTR2BMEN1TSHR
SCHEMBL3146223 0.53 NISCH (0.42) HTR2CHTR2AHTR2BKDM4E
SCHEMBL5242360 0.53 HTR2C (0.43) DRD1DRD2HTR2CHTR2AHTR2B
SCHEMBL4751069 0.53 HTR2C (0.56) DRD1DRD2HTR2CHTR2AHTR2B
SCHEMBL23674439 0.52 HTR2C (0.38) HTR2CHTR2AHTR2BKDM4ERECQL

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 4 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
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 DRD1 48/4885DRD2 30/4885KDM1A 1832/4885

“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.