SCHEMBL3866522

SCHEMBL3866522

CN1CCN(Cc2ccc(NC(=O)C#Cc3ccc(-c4ccc(Cl)cc4)cc3)cc2)CC1

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.80
CHRM1 P11229 5/20 0.80
CACNA1G O43497 2/20 0.51
TP53 P04637 1/20 0.51
HTR2A P28223 4/20 0.50
CNR1 P21554 1/20 0.49
SLC2A1 P11166 1/20 0.48
GPR183 P32249 1/20 0.47
CHKA P35790 2/20 0.47
FAAH O00519 1/20 0.46
ATM Q13315 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
PIK3CA P42336 1/20 0.45
MTOR P42345 1/20 0.45

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
SCHEMBL3859239 0.90 MCHR1 (0.98) MCHR1CHRM1CACNA1GHTR2AGPR183
SCHEMBL3867053 0.89 MCHR1 (1.00) MCHR1CHRM1HTR2AGPR183HRH3
SCHEMBL3866519 0.89 MCHR1 (1.00) MCHR1CHRM1HTR2AGPR183HRH3
SCHEMBL3865017 0.87 CHRM1 (0.77) MCHR1CHRM1CACNA1GTP53HTR2A
SCHEMBL3856766 0.87 CHRM1 (0.77) MCHR1CHRM1CACNA1GTP53HTR2A
SCHEMBL3861828 0.86 CHRM1 (0.76) MCHR1CHRM1CACNA1GHTR2AGPR183
SCHEMBL3857997 0.86 MCHR1 (0.78) MCHR1CHRM1CACNA1GTP53HTR2A
SCHEMBL3866261 0.85 CHRM1 (0.73) MCHR1CHRM1CACNA1GTP53HTR2A
SCHEMBL3857803 0.85 CHRM1 (0.73) MCHR1CHRM1CACNA1GTP53HTR2A
SCHEMBL3866721 0.84 CHRM1 (0.72) MCHR1CHRM1CACNA1GTP53HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 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-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MC4R, MCHR2 MCHR1 1/4885CHRM1 103/4885CACNA1G 3922/4885

“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.