SCHEMBL18035002

SCHEMBL18035002

CN1CCc2c(n(C)c3cc(F)ccc23)C1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.55
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP3A4 P08684 1/20 0.46
HTR6 P50406 7/20 0.45
HRH1 P35367 3/20 0.43
BCHE P06276 1/20 0.42

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
SCHEMBL16624298 0.84 MCHR1 (0.45) MCHR1BCHE
SCHEMBL3475699 0.82 MCHR1 (0.50) MCHR1CYP1A2CYP2D6CYP3A4HTR6
SCHEMBL16624342 0.78 CHRM2 (0.59) MCHR1CYP1A2CYP2D6CYP3A4HTR6
SCHEMBL8803935 0.78 CYP1A2 (0.73) CYP1A2CYP2D6HTR6HRH1
SCHEMBL25634076 0.75 MCHR1 (0.50) MCHR1CYP1A2CYP2D6HTR6HRH1
SCHEMBL21588441 0.75 ESR2 (0.45) MCHR1
SCHEMBL16610030 0.75 MCHR1 (0.51) MCHR1CYP3A4
SCHEMBL13233206 0.74 HTR6 (0.53) CYP1A2CYP2D6HTR6HRH1BCHE
Hydrochloric Acid SCHEMBL17940522 0.74 KDM4E (0.51) MCHR1CYP3A4
SCHEMBL11424347 0.73 MCHR1 (1.00) MCHR1CYP3A4

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-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-18 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-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1I, CACNA1G, CACNA1H MCHR1 3517/4885CYP1A2 1560/4885CYP2D6 821/4885

“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.