SCHEMBL12371425

SCHEMBL12371425

CN1CCc2ccc(NC(=O)[C@H]3C[C@@H](O)CN3C(=O)Nc3ccc(Cl)cc3)cc2CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.57
POLB P06746 2/20 0.53
KLKB1 P03952 4/20 0.47
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
CYP2C19 P33261 1/20 0.43
DRD3 P35462 1/20 0.43
HTR6 P50406 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KCNA1 Q09470 1/20 0.42
KCNAB1 Q14722 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 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
SCHEMBL8470830 1.00 F10 (0.57) F10POLBKLKB1CYP1A2CYP3A4
SCHEMBL12371426 0.90 MEN1 (0.53) F10POLBKLKB1MAPTMEN1
SCHEMBL12371471 0.90 F10 (0.46) F10POLBCYP1A2CYP3A4CYP2D6
SCHEMBL8471194 0.90 MEN1 (0.53) F10POLBKLKB1MAPTMEN1
SCHEMBL12101338 0.87 MEN1 (0.50) F10POLBKLKB1MAPTMEN1
SCHEMBL8471226 0.87 F10 (0.54) F10POLBKLKB1CYP1A2CYP3A4
SCHEMBL12371472 0.86 F10 (0.43) F10POLBKLKB1CYP1A2CYP3A4
SCHEMBL13104152 0.85 F10 (0.52) F10POLBKLKB1CYP1A2CYP3A4
SCHEMBL12101291 0.85 F10 (0.52) F10POLBKLKB1CYP1A2CYP3A4
SCHEMBL12101293 0.84 F10 (0.53) F10POLBKLKB1CYP1A2CYP3A4

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 1628/4885POLB 1837/4885KLKB1 2049/4885

“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.