SCHEMBL1920307

SCHEMBL1920307

COc1ccc(CN2C[C@@H](C)C(=O)[C@H](C)C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
GRM2 Q14416 1/20 0.51
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50
HRH2 P25021 1/20 0.49
PTGIR P43119 1/20 0.48
DRD4 P21917 1/20 0.47
TACR1 P25103 1/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 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
SCHEMBL733605 1.00 CMA1 (0.53) CMA1SIGMAR1SMN1; SMN2GRM2GSK3A
SCHEMBL1920302 1.00 CMA1 (0.53) CMA1SIGMAR1SMN1; SMN2GRM2GSK3A
SCHEMBL1920304 1.00 CMA1 (0.53) CMA1SIGMAR1SMN1; SMN2GRM2GSK3A
SCHEMBL5401152 0.84 CMA1 (0.53) CMA1SIGMAR1SMN1; SMN2GRM2GSK3A
SCHEMBL1920327 0.80 FUCA1 (0.53) SIGMAR1TACR1GAA
SCHEMBL654452 0.80 FUCA1 (0.53) SIGMAR1TACR1GAA
SCHEMBL12533691 0.80 FUCA1 (0.53) SIGMAR1TACR1GAA
SCHEMBL18205232 0.78 SIGMAR1 (0.57) CMA1SIGMAR1SMN1; SMN2HRH2PTGIR
SCHEMBL2918073 0.78 SIGMAR1 (0.57) CMA1SIGMAR1SMN1; SMN2HRH2PTGIR
Ammonia Solution, Strong SCHEMBL15155211 0.78 FUCA1 (0.51) SIGMAR1TACR1GAA

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
EP-1716135-B1 PIPERIDINYLCARBONYL-PYRROLIDINES AND THEIR USE AS MELANOCORTIN AGONISTS PFIZER LTD (GB) 2011-06-01 EP disclosed
US-7649002-B2 (3,5-dimethylpiperidin-1yl)(4-phenylpyrrolidin-3-yl)methanone derivatives as MCR4 agonists PFIZER INC (US) 2010-01-19 US disclosed
EP-1716135-A1 PIPERIDINYLCARBONYL-PYRROLIDINES AND THEIR USE AS MELANOCORTIN AGONISTS Pfizer Limited (GB) 2006-11-02 EP disclosed
WO-2005077935-A1 PIPERIDINYLCARBONYL-PYRROLIDINES AND THEIR USE AS MELANOCORTIN AGONISTS PFIZER LIMITED (GB) 2005-08-25 WO disclosed
US-20050176772-A1 Pharmaceutically active compounds PFIZER INC 2005-08-11 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-20050176772-A1 Pharmaceutically active compounds MC4R, MC3R, MC5R CMA1 419/4885SIGMAR1 448/4885SMN1; SMN2 2155/4885

“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.