SCHEMBL14099544

SCHEMBL14099544

CCC(C)(C)C(=O)Nc1cc(NC(C)=O)ccc1NCC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.43
CNR2 P34972 4/20 0.43
RXFP1 Q9HBX9 1/20 0.41
ALDH1A1 P00352 2/20 0.41
ALDH3A1 P30838 1/20 0.41
CREBBP Q92793 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
EPHX1 P07099 1/20 0.39
BRD4 O60885 1/20 0.38
LDLR P01130 2/20 0.38
MAPK14 Q16539 1/20 0.38
DHODH Q02127 1/20 0.38

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
SCHEMBL1609240 0.89 CNR2 (0.44) CNR1CNR2CREBBPBRD4
SCHEMBL3970983 0.79 PTGER4 (0.50) RXFP1ALDH1A1ALDH3A1KDM4EHPGD
SCHEMBL1608768 0.79 CREBBP (0.44) CNR1CNR2CREBBPKDM4EBRD4
SCHEMBL14116535 0.76 HTT (0.45) RXFP1ALDH1A1ALDH3A1KDM4EHPGD
SCHEMBL3966385 0.75 HTT (0.60) ALDH1A1ALDH3A1KDM4EHPGD
SCHEMBL5146048 0.75 DHODH (0.54) ALDH1A1KDM4EHPGDEPHX1DHODH
SCHEMBL3975552 0.74 PTGER4 (0.47) RXFP1ALDH1A1ALDH3A1KDM4EEPHX1
SCHEMBL6819536 0.73 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDEPHX1
SCHEMBL5881733 0.72 PTGER4 (0.56) ALDH1A1KDM4EMAPK14
SCHEMBL6815244 0.72 ALDH1A1 (0.48) ALDH1A1KDM4EHPGD

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-8633235-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof NEOMED INSTITUTE (CA) 2014-01-21 US disclosed
US-8633235-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof NEOMED INSTITUTE (CA) 2014-01-21 US disclosed
US-20080207612-A1 Benzimidazole Derivatives, Compositions Containing Them, Preparation Thereof and Uses Thereof ASTRAZENECA AB (SE) 2008-08-28 US disclosed
US-20080207612-A1 Benzimidazole Derivatives, Compositions Containing Them, Preparation Thereof and Uses Thereof ASTRAZENECA AB (SE) 2008-08-28 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-20080207612-A1 Benzimidazole Derivatives, Compositions Containing Them, Preparation Thereof and Uses Thereof CYP3A4, CYP2C19, H1-3 CNR1 689/4885CNR2 691/4885RXFP1 1461/4885

“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.