SCHEMBL2965305

SCHEMBL2965305

NCCNc1ccccc1CCN

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA3 P07451 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA5A P35218 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
RECQL P46063 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TAAR1 Q96RJ0 9/20 0.48
IDO1 P14902 2/20 0.46
HTR2A P28223 2/20 0.44
FERMT2 Q96AC1 1/20 0.43
HRH1 P35367 1/20 0.40
MAPT P10636 1/20 0.39
HTT P42858 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
SCHEMBL890885 0.82 CA12 (0.52) CA12CA3CA4CA6CA5A
SCHEMBL8346792 0.82 CA12 (0.52) CA12CA3CA4CA6CA5A
SCHEMBL8285852 0.82 TAAR1 (0.50) TAAR1IDO1HTR2AHRH1
Hydrochloric Acid SCHEMBL23498206 0.80 TAAR1 (0.48) ALDH1A1TSHRRECQLHSD17B10TAAR1
SCHEMBL17417248 0.78 CA12 (0.41) CA12CA3CA4CA6CA5A
SCHEMBL14141191 0.77 TAAR1 (0.54) CA12CA9RECQLTAAR1HTR2A
SCHEMBL12017398 0.77 TAAR1 (0.54) ALDH1A1RECQLHSD17B10TAAR1HTR2A
SCHEMBL3815439 0.76 TAAR1 (0.44) ALDH1A1TAAR1HTR2AHRH1HTT
SCHEMBL2965303 0.76 CA12 (0.46) CA12CA3CA4CA6CA5A
SCHEMBL8306026 0.74 CA12 (0.57) CA12CA3CA4CA6CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 CA12 3866/4885CA3 2410/4885CA4 1734/4885
US-20080255185-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY TRPC4, TRPC3, TRPC1 CA12 3866/4885CA3 2410/4885CA4 1734/4885
US-20120225871-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY TRPC4, TRPC3, TRPC1 CA12 3866/4885CA3 2410/4885CA4 1734/4885

“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.