SCHEMBL4186248

SCHEMBL4186248

O=C(O)[C@@]12CC[C@@H](CN1)C2

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 8/20 0.32
CTSC P53634 2/20 0.31
CYP2C19 P33261 3/20 0.31
GRM2 Q14416 2/20 0.31
GRM3 Q14832 2/20 0.31
CYP1A2 P05177 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
GRM8 O00222 2/20 0.31
GRM6 O15303 2/20 0.31
ALOX15 P16050 1/20 0.31
LMNA P02545 1/20 0.31
GRM5 P41594 1/20 0.31
MTOR P42345 1/20 0.31
GRM1 Q13255 1/20 0.31
PLCB1 Q9NQ66 1/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL4190764 1.00 GRM4 (0.32) GRM4CTSCCYP2C19GRM2GRM3
SCHEMBL21013695 1.00 GRM4 (0.32) GRM4CTSCCYP2C19GRM2GRM3
SCHEMBL901346 1.00 GRM4 (0.32) GRM4CTSCCYP2C19GRM2GRM3
SCHEMBL16064857 1.00 GRM4 (0.32) GRM4CTSCCYP2C19GRM2GRM3
SCHEMBL16064984 1.00 GRM4 (0.32) GRM4CTSCCYP2C19GRM2GRM3
SCHEMBL16064929 0.88 CTSC (0.33) GRM4CTSCCYP1A2
SCHEMBL21013699 0.88 CTSC (0.33) GRM4CTSCCYP1A2
SCHEMBL901728 0.87 SLC6A9 (0.32)
SCHEMBL7839416 0.73 CTSC (0.31) CTSCMEN1KMT2A
SCHEMBL9738407 0.72 CTSC (0.31) CTSC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140275155-A1 SUBSTITUTED BICYCLIC 1-CARBOXYLIC-ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-18 US disclosed
US-20140275155-A1 SUBSTITUTED BICYCLIC 1-CARBOXYLIC-ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-18 US disclosed
US-20090062268-A1 NOVEL INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-03-05 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 (2 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-20090062268-A1 NOVEL INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP11, PARP2 GRM4 4687/4885CTSC 1189/4885CYP2C19 1800/4885
US-20140275155-A1 SUBSTITUTED BICYCLIC 1-CARBOXYLIC-ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C CTSC, CPN1, CPA1 GRM4 4239/4885CTSC 1/4885CYP2C19 615/4885

“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.