SCHEMBL15043752

SCHEMBL15043752

CCCN1C(=O)c2ccc(C(C)(C)C)cc2C1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 5/20 0.58
CA1 P00915 4/20 0.58
CA2 P00918 3/20 0.58
CA4 P22748 1/20 0.58
CA12 O43570 3/20 0.53
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
PLA2G1B P04054 1/20 0.46
NFKB1 P19838 1/20 0.46
CASP3 P42574 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
NR1H3 Q13133 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL20306714 0.90 CA9 (0.55) CA9CA1CA2CA4CA12
SCHEMBL12464403 0.87 CA1 (0.58) CA9CA1CA2CA4CA12
SCHEMBL12235644 0.86 CA9 (0.56) CA9CA1CA2CA4CA12
SCHEMBL19209393 0.81 HSD17B10 (0.55) CA9CA1CA2CA4CA12
SCHEMBL15043753 0.80 NR1H3 (0.58) CA9CA1CA2CA4CA12
SCHEMBL28917112 0.80 ALDH1A1 (0.41) CA9CA1CA2CA4CA12
SCHEMBL6230240 0.79 CA9 (0.52) CA9CA1CA2CA4CA12
SCHEMBL4473452 0.79 CA9 (0.52) CA9CA1CA2CA4CA12
SCHEMBL12235650 0.78 ALDH1A1 (0.51) ALDH1A1NPC1RAB9AKDM4EMEN1
SCHEMBL15043754 0.78 CASP3 (0.51) CA9CA1CA2CA4CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096527-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2015-08-04 US disclosed
US-8952009-B2 Chroman derivatives as TRPM8 inhibitors AMGEN INC. (US) 2015-02-10 US disclosed
US-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC (US) 2015-01-29 US disclosed
US-20140171406-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-06-19 US disclosed
US-20140171639-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-06-19 US disclosed
US-8710043-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2014-04-29 US disclosed
US-20140045855-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC. (US) 2014-02-13 US disclosed
US-20130157996-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2013-06-20 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 (5 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-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS TRPM8, TRPM5, TRPM7 CA9 897/4885CA1 1262/4885CA2 170/4885
US-20140045855-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS TRPM8, TRPM5, TRPM7 CA9 897/4885CA1 1262/4885CA2 170/4885
US-20140171639-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 CA9 2291/4885CA1 1021/4885CA2 240/4885
US-20140171406-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 CA9 2291/4885CA1 1021/4885CA2 240/4885
US-20130157996-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 CA9 2291/4885CA1 1021/4885CA2 240/4885

“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.