SCHEMBL2961812

SCHEMBL2961812

CC(N)C(=O)NC(CN)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 5/20 0.56
GPR88 Q9GZN0 4/20 0.54
RPS6KA5 O75582 2/20 0.49
AKT1 P31749 2/20 0.49
GSK3B P49841 2/20 0.49
NEK4 P51957 2/20 0.49
PRKCD Q05655 2/20 0.49
PRKG2 Q13237 2/20 0.49
ROCK1 Q13464 2/20 0.49
PRKG1 Q13976 2/20 0.49
PKN2 Q16513 2/20 0.49
CLK4 Q9HAZ1 2/20 0.49
MAPK13 O15264 1/20 0.49
DYRK3 O43781 1/20 0.49
ROCK2 O75116 1/20 0.49
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49
CHEK2 O96017 1/20 0.49
PRKCG P05129 1/20 0.49
CDK1 P06493 1/20 0.49

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
SCHEMBL28262023 0.87 CTRB1 (0.56) CTRB1GPR88METAP2METAP1
SCHEMBL12311000 0.87 CTRB1 (0.56) CTRB1GPR88METAP2METAP1
Hydrochloric Acid SCHEMBL18989594 0.84 CTRB1 (0.54) CTRB1GPR88METAP2METAP1SOAT1
Hydrochloric Acid SCHEMBL18989447 0.84 CTRB1 (0.54) CTRB1GPR88METAP2METAP1SOAT1
Hydrochloric Acid SCHEMBL18989448 0.84 CTRB1 (0.54) CTRB1GPR88METAP2METAP1SOAT1
SCHEMBL5967240 0.83 CTRB1 (0.52) CTRB1GPR88
SCHEMBL7433148 0.81 RPS6KA5 (0.52) GPR88RPS6KA5AKT1GSK3BNEK4
SCHEMBL5672684 0.81 RPS6KA5 (0.52) GPR88RPS6KA5AKT1GSK3BNEK4
SCHEMBL4598191 0.80 ROCK1 (0.55) GPR88RPS6KA5AKT1GSK3BNEK4
SCHEMBL115980 0.80 ROCK1 (0.55) GPR88RPS6KA5AKT1GSK3BNEK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268273-B1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON PHARMACEUTICALS INC (US) 2017-06-28 EP disclosed
EP-2510925-B1 Small-Molecule modulators of TRP-P8 activity DENDREON CORP (US) 2016-07-20 EP disclosed
US-8618155-B2 Small-molecule modulators of Trp-p8 activity DENDREON CORPORATION (US) 2013-12-31 US disclosed
US-8614243-B2 Small-molecule modulators of Trp-p8 activity DENDREON CORPORATION (US) 2013-12-24 US disclosed
EP-1986622-B1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORP (US) 2013-10-02 EP disclosed
EP-2510925-A2 Small-Molecule modulators of TRP-P8 activity DENDREON CORPORATION (US) 2012-10-17 EP disclosed
US-20120225871-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2012-09-06 US disclosed
US-7772266-B2 treating or preventing benign prostatic hyperplasia, enlarged prostate, acute urinary retention with 2-Isopropyl-5-methyl-cyclohexanecarboxylic acid (2-amino-2-phenyl-ethyl)-amide; agonists or antagonists of a transient receptor potential proteins; anticarcinogenic agent DENDREON CORPORATION (US) 2010-08-10 US disclosed
US-7741355-B2 Small-molecule modulators of TRP-p8 activity DENDREON CORPORATION (US) 2010-06-22 US disclosed
US-20080255185-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2008-10-16 US disclosed
US-20070232603-A1 Small-molecule modulators of TRP-P8 activity DENDREON CORPORATION (US) 2007-10-04 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 (3 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-20070232603-A1 Small-molecule modulators of TRP-P8 activity TRPC4, TRPC3, TRPC1 CTRB1 2748/4885GPR88 33/4885RPS6KA5 2313/4885
US-20080255185-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY TRPC4, TRPC3, TRPC1 CTRB1 2748/4885GPR88 33/4885RPS6KA5 2313/4885
US-20120225871-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY TRPC4, TRPC3, TRPC1 CTRB1 2748/4885GPR88 33/4885RPS6KA5 2313/4885

“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.