SCHEMBL4267534

SCHEMBL4267534

CC1(CNCc2ccc(N)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.39
ERAP2 Q6P179 1/20 0.39
GFER P55789 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
ITGB1 P05556 1/20 0.36
ITGA5 P08648 1/20 0.36
EPHX1 P07099 1/20 0.36
PPID Q08752 2/20 0.36

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
SCHEMBL13573564 0.84 OPRM1 (0.47) ANPEPERAP2GFERALDH1A1CYP3A4
SCHEMBL2019716 0.81 MEN1 (0.50) CYP3A4TDP1CA12CA2CA7
Hydrochloric Acid SCHEMBL27690675 0.79 MEN1 (0.48) CYP3A4TDP1CA1CA2KDM4E
SCHEMBL18062276 0.79 CHRM2 (0.53) ALDH1A1KDM4EHTT
SCHEMBL2125786 0.75 TDP1 (0.55) ANPEPERAP2GFERALDH1A1CYP3A4
SCHEMBL23023065 0.73 MEN1 (0.45) CYP3A4TSHRTDP1HTR2AKDM4E
SCHEMBL12074568 0.71 GFER (0.46) ANPEPERAP2GFERALDH1A1CYP3A4
SCHEMBL23170778 0.69 MAPK1 (0.47) ALDH1A1KDM4EMCHR1
SCHEMBL3120826 0.68 HRH4 (0.52) ANPEPERAP2GFERALDH1A1CYP3A4
SCHEMBL18232477 0.67 ANPEP (0.54) ANPEPERAP2GFERALDH1A1CYP3A4

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 ANPEP 2209/4885ERAP2 1657/4885GFER 4004/4885

“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.