SCHEMBL12371472

SCHEMBL12371472

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.43
RHOC P08134 1/20 0.41
RHOA P61586 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
CYP2C19 P33261 1/20 0.41
DRD3 P35462 1/20 0.41
HTR6 P50406 1/20 0.41
KCNA1 Q09470 1/20 0.40
KCNAB1 Q14722 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL14434689 0.89 SLC2A1 (0.48) F10RHOCRHOAPOLBKLKB1
SCHEMBL12371471 0.88 F10 (0.46) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8470830 0.86 F10 (0.57) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12371425 0.86 F10 (0.57) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8471226 0.84 F10 (0.54) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13104152 0.81 F10 (0.52) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12101291 0.81 F10 (0.52) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12371473 0.81 F10 (0.46) F10CYP2C9KMT2ATSHRCCR1
SCHEMBL12101293 0.80 F10 (0.53) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8482771 0.80 TSHR (0.59) RHOCRHOACYP2C9CYP2C19MEN1

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 1628/4885RHOC 2776/4885RHOA 4240/4885

“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.