SCHEMBL1106027

SCHEMBL1106027

COc1cccc([C@@H](C)NCC2CCN(c3ncc(C(=O)O)s3)CC2c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKG1 Q13976 8/20 0.41
ROCK2 O75116 8/20 0.41
DYRK3 O43781 1/20 0.39
PRKCG P05129 1/20 0.39
PRKACA P17612 1/20 0.39
RPS6KB1 P23443 1/20 0.39
MAPK1 P28482 1/20 0.39
CLK2 P49760 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
RPS6KA3 P51812 1/20 0.39
PRKCD Q05655 1/20 0.39
ROCK1 Q13464 1/20 0.39
PKN2 Q16513 1/20 0.39
AURKB Q96GD4 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
SGK2 Q9HBY8 1/20 0.39
CSNK1G1 Q9HCP0 1/20 0.39
STK17A Q9UEE5 1/20 0.39
AKT3 Q9Y243 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
SCHEMBL1105831 0.85 ROCK2 (0.40) PRKG1ROCK2ROCK1CASRFFAR1
SCHEMBL1105827 0.82 CASR (0.43) CASR
SCHEMBL1105999 0.82 TTR (0.42) PRKG1ROCK2CASRCCR5MEN1
SCHEMBL1096517 0.82 ACACB (0.43) PRKG1ROCK2ROCK1CASRCCR5
Hydrochloric Acid SCHEMBL1096096 0.81 ACACB (0.42) PRKG1ROCK2ROCK1CASRCCR5
SCHEMBL1106015 0.78 CASR (0.41) CASRCCNT1CDK9
Hydrochloric Acid SCHEMBL1094801 0.77 CASR (0.42) CASRCCNT1CDK9
SCHEMBL1105980 0.77 ROCK2 (0.45) PRKG1ROCK2CASRFFAR1CCR5
Hydrochloric Acid SCHEMBL4111934 0.74 CASR (0.47) PRKG1ROCK2CASRFFAR1CCR5
SCHEMBL7886512 0.72 CASR (0.57) CASRFFAR1

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-8153658-B2 Piperidine derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2012-04-10 US disclosed
US-8153658-B2 Piperidine derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2012-04-10 US disclosed
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-02-04 US disclosed
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-02-04 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-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF CASR, CYP2R1, HCAR1 PRKG1 1656/4885ROCK2 4415/4885DYRK3 1583/4885

“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.