SCHEMBL4491986

SCHEMBL4491986

OC1CC2CCC(C1)N2CCOc1ccc(C#Cc2ncc(-c3ccc(Cl)cc3)cc2F)cc1Br

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.53
CHRM1 P11229 5/20 0.53
HTR2A P28223 4/20 0.53
CYP2D6 P10635 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A9 P48067 1/20 0.32
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
AVPR1B P47901 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL4474631 0.90 MCHR1 (0.55) MCHR1CHRM1HTR2ACYP2D6SLC6A9
SCHEMBL4482478 0.88 MCHR1 (0.67) MCHR1CHRM1HTR2ACYP2D6HTR1A
SCHEMBL4492887 0.82 MCHR1 (0.50) MCHR1CHRM1HTR2ACYP2D6ALDH1A1
SCHEMBL4477263 0.82 MCHR1 (0.78) MCHR1CHRM1HTR2ACYP2D6ALDH1A1
SCHEMBL4475717 0.81 MCHR1 (0.63) MCHR1CHRM1HTR2ACYP2D6ALDH1A1
SCHEMBL4478680 0.81 MCHR1 (0.63) MCHR1CHRM1HTR2ACYP2D6ALDH1A1
SCHEMBL4474304 0.79 MCHR1 (0.51) MCHR1CHRM1HTR2ACYP2D6ALDH1A1
SCHEMBL4487030 0.79 MCHR1 (0.51) MCHR1CHRM1HTR2ACYP2D6ALDH1A1
SCHEMBL4487952 0.79 MCHR1 (0.59) MCHR1CHRM1HTR2ACYP2D6
SCHEMBL4482386 0.78 MCHR1 (0.54) MCHR1CHRM1HTR2ACYP2D6ALDH1A1

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 1/4885CHRM1 125/4885HTR2A 161/4885

“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.