SCHEMBL2965303

SCHEMBL2965303

NCCNc1ccccc1CC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.46
CA3 P07451 2/20 0.46
CA4 P22748 2/20 0.46
CA6 P23280 2/20 0.46
CA5A P35218 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
CXCL8 P10145 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 2/20 0.45
TSHR P16473 1/20 0.45
RECQL P46063 1/20 0.45
IDO1 P14902 2/20 0.44
KDM4C Q9H3R0 1/20 0.40
FERMT2 Q96AC1 1/20 0.38
SYK P43405 1/20 0.38
KAT2B Q92831 2/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL11635283 0.81 POLB (0.46) ALDH1A1
SCHEMBL8346792 0.78 CA12 (0.52) CA12CA3CA4CA6CA5A
SCHEMBL5681666 0.78 HSD17B10 (0.51) ALDH1A1HSD17B10TSHRIDO1KDM4C
SCHEMBL3743443 0.77 KDM4E (0.43) CXCL8ALDH1A1RECQLPTGS2AKR1B10
SCHEMBL15387036 0.77 CXCL8 (0.41) CXCL8ALDH1A1TSHRHPGDPTGS2
SCHEMBL2965305 0.76 CA12 (0.53) CA12CA3CA4CA6CA5A
Hydrochloric Acid SCHEMBL514344 0.76 CXCL8 (0.53) CXCL8IDO1KDM4CKAT2BPTGS2
SCHEMBL17315235 0.75 AGTR1 (0.53) CA12CA3CA4CA6CA5A
SCHEMBL10339218 0.74 AKR1B1 (0.46) ALDH1A1HSD17B10TSHRRECQLCA2
SCHEMBL890885 0.74 CA12 (0.52) 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.