SCHEMBL4477263

SCHEMBL4477263

CC1CCN(CCOc2ccc(C#Cc3ncc(-c4ccc(Cl)cc4)cc3F)cc2Br)CC1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.78
HTR2A P28223 4/20 0.78
CHRM1 P11229 4/20 0.78
KDM4E B2RXH2 3/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
CYP2D6 P10635 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SIGMAR1 Q99720 3/20 0.45
HTR2C P28335 2/20 0.45
TDP1 Q9NUW8 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
SCHEMBL4483830 0.91 MCHR1 (0.79) MCHR1HTR2ACHRM1KDM4EKMT2A
SCHEMBL2322339 0.88 MCHR1 (1.00) MCHR1HTR2ACHRM1KDM4ECYP2D6
SCHEMBL4487952 0.87 MCHR1 (0.59) MCHR1HTR2ACHRM1CYP2D6
SCHEMBL4482386 0.83 MCHR1 (0.54) MCHR1HTR2ACHRM1KDM4EKMT2A
SCHEMBL4482390 0.83 MCHR1 (0.54) MCHR1HTR2ACHRM1KDM4EKMT2A
SCHEMBL4487720 0.83 MCHR1 (0.80) MCHR1HTR2ACHRM1KDM4ECYP2D6
SCHEMBL4478680 0.82 MCHR1 (0.63) MCHR1HTR2ACHRM1KDM4EALDH1A1
SCHEMBL4475717 0.82 MCHR1 (0.63) MCHR1HTR2ACHRM1KDM4EALDH1A1
SCHEMBL4492887 0.82 MCHR1 (0.50) MCHR1HTR2ACHRM1KDM4EKMT2A
SCHEMBL4491986 0.82 MCHR1 (0.53) MCHR1HTR2ACHRM1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592358-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US claimed
US-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 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-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 MCHR1 1/4885HTR2A 161/4885CHRM1 125/4885

“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.