SCHEMBL15043749

SCHEMBL15043749

Cc1cc(C)n2nc(C(C)(C)C)nc2n1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.58
ALDH1A1 P00352 6/20 0.54
HTT P42858 1/20 0.54
KDM4E B2RXH2 5/20 0.50
CYP1A2 P05177 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
TSHR P16473 2/20 0.47
TP53 P04637 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 1/20 0.47
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
DHODH Q02127 2/20 0.45

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
SCHEMBL20344153 0.83 RECQL (0.56) RECQLALDH1A1HTTKDM4ECYP1A2
SCHEMBL18789864 0.83 RECQL (0.56) RECQLALDH1A1HTTKDM4ECYP1A2
SCHEMBL13325681 0.78 RECQL (0.68) RECQLALDH1A1HTTKDM4ECYP1A2
SCHEMBL12776201 0.75 RECQL (0.69) RECQLALDH1A1HTTKDM4ECYP1A2
SCHEMBL4470140 0.73 RECQL (0.61) RECQLALDH1A1HTTKDM4ECYP1A2
SCHEMBL10558826 0.73 RECQL (0.61) RECQLALDH1A1HTTKDM4ECYP1A2
SCHEMBL9818546 0.73 RECQL (0.61) RECQLALDH1A1HTTKDM4ECYP1A2
SCHEMBL2488614 0.73 RECQL (0.61) RECQLALDH1A1HTTKDM4ECYP1A2
SCHEMBL15807121 0.72 RECQL (0.76) RECQLALDH1A1HTTKDM4ECYP1A2
SCHEMBL4477891 0.70 ALDH1A1 (0.60) RECQLALDH1A1HTTKDM4ECYP1A2

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 RECQL 1152/4885ALDH1A1 4469/4885HTT 2629/4885
US-20140045855-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS TRPM8, TRPM5, TRPM7 RECQL 1152/4885ALDH1A1 4469/4885HTT 2629/4885
US-20140171639-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 RECQL 2056/4885ALDH1A1 4051/4885HTT 2351/4885
US-20140171406-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 RECQL 2056/4885ALDH1A1 4051/4885HTT 2351/4885
US-20130157996-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 RECQL 2056/4885ALDH1A1 4051/4885HTT 2351/4885

“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.