SCHEMBL12371443

SCHEMBL12371443

COCCO[C@@H]1C[C@H](C(=O)Nc2ccc3c(c2)CCN(C)CC3)N(C(=O)Nc2ccc(Cl)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.51
GAA P10253 2/20 0.41
POLB P06746 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
TSHR P16473 1/20 0.40
KLKB1 P03952 1/20 0.40
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
CYP2C19 P33261 1/20 0.38
DRD3 P35462 1/20 0.38
HTR6 P50406 1/20 0.38
KCNA1 Q09470 1/20 0.37
KCNAB1 Q14722 1/20 0.37
EP300 Q09472 1/20 0.37

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
SCHEMBL12371440 0.92 F10 (0.54) F10GAAPOLBTSHRKLKB1
SCHEMBL8471226 0.89 F10 (0.54) F10GAAPOLBTSHRKLKB1
SCHEMBL12101291 0.87 F10 (0.52) F10GAAPOLBTSHRKLKB1
SCHEMBL13104152 0.87 F10 (0.52) F10GAAPOLBTSHRKLKB1
SCHEMBL12101293 0.86 F10 (0.53) F10GAAPOLBTSHRKLKB1
SCHEMBL12371445 0.86 F10 (0.49) F10GAAPOLBTSHRKLKB1
SCHEMBL12101350 0.84 F10 (0.48) F10GAAPOLBKLKB1MEN1
SCHEMBL12101336 0.84 F10 (0.48) F10GAAPOLBKLKB1MEN1
SCHEMBL12371442 0.83 F10 (0.44) F10POLBTSHRKDM4ECYP1A2
SCHEMBL14435250 0.83 F10 (0.51) F10POLBTSHRKLKB1HTR2C

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-8003639-B2 Substituted prolinamides, the preparation thereof and the use thereof as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-23 US disclosed
US-8003639-B2 Substituted prolinamides, the preparation thereof and the use thereof as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-23 US disclosed
US-20090048231-A1 SUBSTITUTED PROLINAMIDES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 US disclosed
US-20090048231-A1 SUBSTITUTED PROLINAMIDES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 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-20090048231-A1 SUBSTITUTED PROLINAMIDES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PREP, P4HA1, PPID F10 1628/4885GAA 1602/4885POLB 1837/4885

“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.