SCHEMBL15469366

SCHEMBL15469366

C=C1COc2c(cccc2C(C)(C)C)N1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.33
KIF11 P52732 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALOX5 P09917 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30

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
SCHEMBL13145715 0.81 SMYD3 (0.42)
SCHEMBL25696261 0.75 CA2 (0.36) CA2KIF11ALDH1A1TSHRTDP1
SCHEMBL16807806 0.74 GABRA1 (0.33) CA2TSHRPTGS1GABRA1GABRB2
SCHEMBL25696263 0.71 CA2 (0.36) CA2KIF11ALDH1A1TSHRTDP1
SCHEMBL9910071 0.70 AR (0.39) CA2ALDH1A1GABRA1GABRB2
SCHEMBL9924348 0.70 CA2 (0.35) CA2KIF11ALDH1A1TSHRTDP1
SCHEMBL10095220 0.67 ALOX5 (0.48) ALOX5
SCHEMBL24429237 0.67 PARP1 (0.40)
SCHEMBL3401653 0.67 ADRB1 (0.51) ALDH1A1TSHR
SCHEMBL12928758 0.65 MMP12 (0.41) KIF11ALDH1A1ALOX5

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 4 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-20140171406-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-06-19 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 (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-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS TRPM8, TRPM5, TRPM7 CA2 170/4885KIF11 3627/4885ALDH1A1 4469/4885
US-20140045855-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS TRPM8, TRPM5, TRPM7 CA2 170/4885KIF11 3627/4885ALDH1A1 4469/4885
US-20140171406-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 CA2 240/4885KIF11 2542/4885ALDH1A1 4051/4885

“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.