SCHEMBL4206394

SCHEMBL4206394

c1ccc(N2CCN(c3ccc4c(n3)CCNCC4)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.60
HTR2A P28223 3/20 0.60
HTR3A P46098 3/20 0.50
HTR3E A5X5Y0 2/20 0.50
HTR3B O95264 2/20 0.50
ADRB1 P08588 2/20 0.50
HTR3D Q70Z44 2/20 0.50
HTR3C Q8WXA8 2/20 0.50
SIGMAR1 Q99720 1/20 0.50
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.44
USP2 O75604 2/20 0.44
HTR6 P50406 2/20 0.44
MAPK1 P28482 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTR1A P08908 1/20 0.44
SLC6A4 P31645 1/20 0.44

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
SCHEMBL4015920 0.86 HTR2C (0.79) HTR2CHTR2AHTR3AHTR3EHTR3B
SCHEMBL4015051 0.85 HTR2C (0.63) HTR2CHTR2AHTR3AHTR3EHTR3B
SCHEMBL4015795 0.84 HTR2C (0.71) HTR2CHTR2AHTR3AHTR3EHTR3B
SCHEMBL4006035 0.83 HTR2C (0.69) HTR2CHTR2AHTR3AHTR3EHTR3B
SCHEMBL4010697 0.83 HTR2C (0.69) HTR2CHTR2AHTR3AHTR3EHTR3B
SCHEMBL4009586 0.82 HTR2C (0.63) HTR2CHTR2AHTR3AHTR3EHTR3B
SCHEMBL4010604 0.81 HTR2C (0.75) HTR2CHTR2AHTR3AHTR3EHTR3B
SCHEMBL4011767 0.81 HTR2A (0.61) HTR2CHTR2AHTR3AHTR3EHTR3B
SCHEMBL13568133 0.81 HTR2C (0.61) HTR2CHTR2AHTR3AHTR3EHTR3B
SCHEMBL4196244 0.80 HTR2A (0.61) HTR2CHTR2AHTR3AHTR3EHTR3B

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 3 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 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

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 1/4885HTR2A 2/4885HTR3A 4/4885

“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.