SCHEMBL5996340

SCHEMBL5996340

COC(=O)CCc1ccc2ccccc2c1N

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
NCEH1 Q6PIU2 1/20 0.48
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
CDYL Q9Y232 1/20 0.43
MTNR1A P48039 3/20 0.43
MMP3 P08254 1/20 0.43
EGFR P00533 1/20 0.43
SRC P12931 1/20 0.43
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41

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
Hydrochloric Acid SCHEMBL7347385 0.99 CYP1A2 (0.48) CYP1A2CYP2C19NCEH1CCNCCDK8
SCHEMBL5997308 0.81 CYP1A2 (0.53) CYP1A2CYP2C19NCEH1CCNCCDK8
SCHEMBL6615856 0.81 CDYL (0.60) CYP1A2CYP2C19KDM4EALDH1A1MAPT
SCHEMBL30498970 0.81 CDYL (0.60) CYP1A2CYP2C19KDM4EALDH1A1MAPT
SCHEMBL17537545 0.81 ALDH1A1 (0.54) CYP1A2CYP2C19CCNCCDK8KDM4E
SCHEMBL6773955 0.79 EGFR (0.49) CYP1A2CYP2C19NCEH1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL27506548 0.78 EGFR (0.48) CYP1A2CYP2C19NCEH1KDM4EALDH1A1
SCHEMBL7832666 0.78 CYP4F2 (0.46) CYP1A2CYP2C19NCEH1KDM4EALDH1A1
SCHEMBL28309323 0.76 ALDH1A1 (0.57) CYP1A2CYP2C19KDM4EALDH1A1MAPT
SCHEMBL20834863 0.75 CYP4F2 (0.44) KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7087759-B2 for controlling weight; pyrrolidine or piperidine compounds THE PROCTER & GAMBLE COMPANY (US) 2006-08-08 US disclosed
US-20060106059-A1 Melanocortin receptor ligands MAZUR WIESLAW A 2006-05-18 US disclosed
US-6911447-B2 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY (US) 2005-06-28 US disclosed
US-20040224985-A1 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY 2004-11-11 US disclosed
US-20030109556-A1 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY 2003-06-12 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 (3 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-20030109556-A1 Melanocortin receptor ligands MC3R, MC4R, MC1R CYP1A2 1953/4885CYP2C19 796/4885NCEH1 2326/4885
US-20060106059-A1 Melanocortin receptor ligands MC3R, MC4R, MC1R CYP1A2 2334/4885CYP2C19 1037/4885NCEH1 1832/4885
US-20040224985-A1 Melanocortin receptor ligands MC3R, MC4R, MC1R CYP1A2 1953/4885CYP2C19 796/4885NCEH1 2326/4885

“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.