SCHEMBL1267959

SCHEMBL1267959

CCC[C@@H]1C[C@H](N)CN1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.40
NR1H2 P55055 1/20 0.39
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
MMP2 P08253 1/20 0.35
ANPEP P15144 1/20 0.35
SRC P12931 5/20 0.33

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
SCHEMBL1268619 1.00 ATM (0.40) ATMNR1H2CYP1A2POLBCYP3A4
SCHEMBL3964124 1.00 ATM (0.40) ATMNR1H2CYP1A2POLBCYP3A4
SCHEMBL1724522 0.88 NR1H2 (0.41) NR1H2CYP1A2POLBCYP3A4CYP2C19
SCHEMBL12213318 0.88 NR1H2 (0.41) NR1H2CYP1A2POLBCYP3A4CYP2C19
SCHEMBL12204166 0.88 NR1H2 (0.41) NR1H2CYP1A2POLBCYP3A4CYP2C19
SCHEMBL14117916 0.86 ATM (0.45) ATMNR1H2CHRM2CHRM1CHRM3
SCHEMBL12213289 0.85 NR1H2 (0.41) NR1H2CYP1A2POLBCYP3A4CYP2C19
SCHEMBL8065917 0.85 NR1H2 (0.48) NR1H2CYP1A2POLBCYP3A4CYP2C19
SCHEMBL2526553 0.85 NR1H2 (0.41) NR1H2CYP1A2POLBCYP3A4CYP2C19
SCHEMBL3725714 0.85 NR1H2 (0.48) NR1H2CYP1A2POLBCYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7879852-B2 such as (4S)-1-{[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-yl]carbonyl}-4-[(4,4-dimethylcyclohexyl)(2,2-dimethylpropanoyl)amino]-N,N-dimethyl-L-prolineamide, used for the treatment of obesity, diabetes, inflammation and erectile dysfunction LG LIFE SCIENCES LTD. (KR) 2011-02-01 US disclosed
US-20090298829-A1 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD. (KR) 2009-12-03 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-20090298829-A1 MELANOCORTIN RECEPTOR AGONISTS MC1R, MC3R, MC5R ATM 4772/4885NR1H2 476/4885CYP1A2 1253/4885

“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.