SCHEMBL5457293

SCHEMBL5457293

N#Cc1ccc(NC(=O)N2CCC(c3ccc4c(c3)CCN(C3CCC3)CC4)CC2)cn1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.50
NAMPT P43490 7/20 0.42
HRH1 P35367 1/20 0.40
FASN P49327 1/20 0.40
MCHR1 Q99705 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 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
SCHEMBL5471824 0.86 CCR2 (0.48) HRH3NAMPTFASNCYP3A4CYP2D6
SCHEMBL5465779 0.85 HRH3 (0.58) HRH3FASNCYP2D6
SCHEMBL4772427 0.83 CCR2 (0.46) HRH3NAMPTFASNCYP3A4CYP2D6
SCHEMBL5461631 0.82 CCR2 (0.52) HRH3NAMPTCYP3A4CYP2D6CYP2C19
SCHEMBL14440719 0.81 NAMPT (0.44) HRH3NAMPTCYP3A4CYP2D6CYP2C19
SCHEMBL5464234 0.81 SMN1; SMN2 (0.51) HRH3NAMPTMCHR1CYP2C19
SCHEMBL4765645 0.80 NPC1 (0.53) HRH3NAMPTMCHR1CYP3A4CYP2D6
SCHEMBL4770797 0.78 HRH3 (0.55) HRH3HRH1
SCHEMBL4765684 0.78 NAMPT (0.47) HRH3NAMPTCYP3A4CYP2D6CYP2C19
SCHEMBL4767921 0.77 NPC1 (0.56) HRH3NAMPTMCHR1CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders GLAXO GROUP LIMITED (GB) 2007-08-09 US claimed

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-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders CNR2, GRIN2C, GRIN2B HRH3 38/4885NAMPT 4183/4885HRH1 101/4885

“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.