SCHEMBL2369359

SCHEMBL2369359

O=C(C1CNCCc2ccccc21)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.50
HTR2A P28223 4/20 0.50
HTR2B P41595 4/20 0.50
TAAR1 Q96RJ0 2/20 0.47
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
DRD2 P14416 2/20 0.39
DRD1 P21728 2/20 0.39
KDM1A O60341 2/20 0.39
PIN1 Q13526 1/20 0.38
OPRM1 P35372 2/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 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
SCHEMBL4751069 0.81 HTR2C (0.56) HTR2CHTR2AHTR2BTAAR1TSHR
SCHEMBL6601826 0.80 HTR2C (0.54) HTR2CHTR2AHTR2BTAAR1TSHR
SCHEMBL5451237 0.76 HTR2C (0.47) HTR2CHTR2AHTR2BTAAR1TSHR
SCHEMBL4662681 0.76 HTR2C (0.50) HTR2CHTR2AHTR2BTAAR1TSHR
SCHEMBL586978 0.76 TSHR (0.65) TSHRNPSR1KDM1AOPRM1OPRD1
SCHEMBL2369974 0.71 DRD1 (0.35) HTR2CHTR2AHTR2BTAAR1TSHR
SCHEMBL174199 0.71 TAAR1 (0.45) HTR2CHTR2AHTR2BTAAR1TSHR
Trifluoroacetic Acid SCHEMBL5451230 0.71 HTR2C (0.61) HTR2CHTR2AHTR2BTSHRNPSR1
SCHEMBL1520386 0.71 HTR2C (0.62) HTR2CHTR2AHTR2BTAAR1TSHR
SCHEMBL18071812 0.71 HTR2C (0.62) HTR2CHTR2AHTR2BTAAR1TSHR

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-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
US-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents MERCK SHARP & DOHME B.V. (NL) 2003-07-10 US disclosed
US-6194409-B1 SERINE PROTEASE INHIBITOR; BIOAVAILABILITY WHEN ADMINISTERED BY MOUTH AKZO NOBEL N.V. (NL) 2001-02-27 US disclosed
EP-0975600-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS Akzo Nobel N.V. (NL) 2000-02-02 EP disclosed
WO-1998047876-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS AKZO NOBEL N.V. (NL) 1998-10-29 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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 HTR2C 1/4885HTR2A 4/4885HTR2B 6/4885
US-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents F2, F12, VKORC1 HTR2C 1526/4885HTR2A 1450/4885HTR2B 1302/4885

“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.