SCHEMBL15469368

SCHEMBL15469368

Cc1cccc(C2(O)CCOc3cccnc32)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 2/20 0.44
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
SLC6A2 P23975 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CHRND Q07001 1/20 0.36
HDAC4 P56524 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL15467925 0.85 MAP3K14 (0.41) MAP3K14CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL15467914 0.85 MAP3K14 (0.49) MAP3K14OPRM1OPRD1OPRK1OPRL1
SCHEMBL15467268 0.81 MAP3K14 (0.41) MAP3K14CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL15467737 0.80 TRPM8 (0.45) MAP3K14HDAC3HDAC1HDAC2HDAC6
SCHEMBL15468024 0.78 MAP3K14 (0.38) MAP3K14CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL15467441 0.78 MAP3K14 (0.49) MAP3K14SLC6A2SLC6A3ALDH1A1GAA
SCHEMBL15467483 0.78 MAP3K14 (0.39) MAP3K14SLC6A2SLC6A3TRPM8
SCHEMBL15467331 0.76 PDE2A (0.38) MAP3K14HDAC3HDAC1HDAC2HDAC6
SCHEMBL15467986 0.75 TRPM8 (0.37) MAP3K14OPRM1OPRL1CTNNB1WNT3A
SCHEMBL15466993 0.73 TRPM8 (0.42) TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20140045855-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC. (US) 2014-02-13 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 (2 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 MAP3K14 1097/4885CHRNA1 120/4885CHRNG 242/4885
US-20140045855-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS TRPM8, TRPM5, TRPM7 MAP3K14 1097/4885CHRNA1 120/4885CHRNG 242/4885

“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.