SCHEMBL4267535

SCHEMBL4267535

CN(Cc1ccc(N)cc1)CC1CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.41
MAPT P10636 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.40
LSS P48449 2/20 0.38
SIGMAR1 Q99720 1/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 2/20 0.37
GFER P55789 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HTR6 P50406 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL3087967 0.89 HTT (0.43) CXCR3MAPTTAS2R14LSS
SCHEMBL9310257 0.85 MAPT (0.46) MAPTLSSSIGMAR1LMNAALDH1A1
SCHEMBL16327151 0.83 PYCR1 (0.50) CXCR3TAS2R14LSS
SCHEMBL17887960 0.81 PYCR1 (0.51) CXCR3TAS2R14
SCHEMBL1240985 0.81 PYCR1 (0.51) CXCR3LSSALDH1A1MAOB
SCHEMBL14045705 0.81 ALDH1A1 (0.52) SIGMAR1LMNAALDH1A1CYP3A4TSHR
SCHEMBL12891100 0.79 EP300 (0.47) CXCR3LSSSIGMAR1LMNA
SCHEMBL26668497 0.78 EP300 (0.46) CXCR3LSSTDP1
SCHEMBL3158453 0.77 CXCR3 (0.38) CXCR3MAPTLSSSIGMAR1LMNA
SCHEMBL4686478 0.77 CARM1 (0.47) SIGMAR1LMNAALDH1A1CYP3A4TSHR

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-7605176-B2 β-ketoamide compounds with MCH antagonistic activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-20 US disclosed
EP-1730130-A1 BETA-KETOAMIDE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING SAID COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2006-12-13 EP disclosed
US-20050245500-A1 Beta-ketoamide compounds with MCH antagonistic activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 US disclosed
WO-2005085221-A1 BETA-KETOAMIDE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 WO 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-20050245500-A1 Beta-ketoamide compounds with MCH antagonistic activity MCHR2, MCHR1, NPY1R CXCR3 1077/4885MAPT 4030/4885TAS2R14 580/4885

“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.