SCHEMBL4207683

SCHEMBL4207683

c1ccc(-c2ccc3c(n2)CCNCC3)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.48
HTR2C P28335 15/20 0.47
HTR2A P28223 6/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
HTR3A P46098 1/20 0.47
HTR6 P50406 1/20 0.47
PDE4B Q07343 1/20 0.42
HTR2B P41595 8/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
PRCP P42785 1/20 0.39

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
SCHEMBL3236226 0.88 CYP3A4 (0.57) CYP3A4HTR2CHTR2ACHRM4CHRM5
Hydrochloric Acid SCHEMBL19664944 0.87 CYP3A4 (0.56) CYP3A4HTR2CHTR2ACHRM4CHRM5
SCHEMBL4195132 0.83 CHRNB2 (0.44) CYP3A4PIM1PIM3PIM2
SCHEMBL3310894 0.80 MEN1 (0.45) HTR2CHTR2AMEN1RAB9AKMT2A
SCHEMBL31598494 0.79 MEN1 (0.44) HTR2CHTR2AMEN1RAB9AKMT2A
SCHEMBL4202874 0.78 PDCD1 (0.40) CYP3A4HTR2CHTR2ACHRM4CHRM5
SCHEMBL720303 0.76 HTR2C (0.41) CYP3A4HTR2CHTR2AHTR6HTR2B
SCHEMBL15001553 0.75 HTR2C (0.59) CYP3A4HTR2CHTR2ACHRM4CHRM5
SCHEMBL19260177 0.74 RAB9A (0.42) CYP3A4HTR2CPDE4BMEN1RAB9A
Hydrochloric Acid SCHEMBL14990836 0.73 HTR2C (0.57) CYP3A4HTR2CHTR2AHTR2BMEN1

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-2008009125-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS CASCADE THERAPEUTICS INC. (CA) 2008-01-24 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 CYP3A4 1067/4885HTR2C 1/4885HTR2A 2/4885

“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.