SCHEMBL4016057

SCHEMBL4016057

FC(F)(F)c1ccc2c(n1)CCNCC2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 17/20 0.42
HTR2B P41595 13/20 0.42
ADRB1 P08588 1/20 0.41
HTR2A P28223 6/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR3A P46098 1/20 0.38
HTR6 P50406 1/20 0.38
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35

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
SCHEMBL1019803 0.88 CYP3A4 (0.41) HTR2CHTR2BADRB1HTR2A
SCHEMBL1996608 0.88 HTR2C (0.42) HTR2CHTR2BADRB1HTR2A
Hydrochloric Acid SCHEMBL3881128 0.86 CYP3A4 (0.40) HTR2CHTR2BADRB1HTR2A
SCHEMBL4214214 0.82 HTR2C (0.42) HTR2CHTR2BHTR2ACHRM4CHRM5
Hydrochloric Acid SCHEMBL4195138 0.81 HTR2C (0.41) HTR2CHTR2BHTR2ACHRM4CHRM5
SCHEMBL29875556 0.79 SORT1 (0.40) HTR2CHTR2BHTR2A
SCHEMBL21041002 0.74 HTR2C (0.43) HTR2CHTR2BHTR2ACHRM4CHRM5
SCHEMBL14147538 0.74 HTR2C (0.37) HTR2CHTR2BHTR2ACHRM4CHRM5
SCHEMBL3884326 0.74 HTR2C (0.39) HTR2CHTR2BADRB1HTR2A
SCHEMBL13853275 0.73 CYP3A4 (0.42) HTR2CHTR2BADRB1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS CASCADE THERAPEUTICS INC. (CA) 2009-12-17 US claimed
US-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS CASCADE THERAPEUTICS INC. (CA) 2009-12-17 US disclosed
US-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS CASCADE THERAPEUTICS INC. (CA) 2009-12-17 US disclosed
US-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS CASCADE THERAPEUTICS INC. (CA) 2009-12-17 US disclosed
EP-2094695-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS Cascade Therapeutics Inc. (CA) 2009-09-02 EP disclosed
WO-2009079765-A1 COMPOUNDS WITH ACTIVITY AT THE 5-HT2C RECEPTOR CASCADE THERAPEUTICS INC. (CA) 2009-07-02 WO disclosed
WO-2008009125-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS CASCADE THERAPEUTICS INC. (CA) 2008-01-24 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 (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-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS HTR2C, HTR2A, HTR5A HTR2C 1/4885HTR2B 7/4885ADRB1 269/4885

“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.