SCHEMBL15469452

SCHEMBL15469452

N[C@]1(c2ccc3ccccc3c2)CCOc2cccnc21

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.37
SLC6A3 Q01959 9/20 0.37
SLC6A2 P23975 2/20 0.37
AKT1 P31749 2/20 0.35
AKT2 P31751 2/20 0.35
TRPM8 Q7Z2W7 1/20 0.34
OPRM1 P35372 1/20 0.33
KDM1A O60341 3/20 0.33
RCOR1 Q9UKL0 3/20 0.33

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
Hydrochloric Acid SCHEMBL15466944 0.99 SLC6A4 (0.36) SLC6A4SLC6A3SLC6A2AKT1AKT2
Hydrochloric Acid SCHEMBL15466946 0.99 SLC6A4 (0.36) SLC6A4SLC6A3SLC6A2AKT1AKT2
SCHEMBL15467274 0.83 AKT1 (0.43) SLC6A4SLC6A3SLC6A2AKT1AKT2
SCHEMBL15467270 0.83 AKT1 (0.43) SLC6A4SLC6A3SLC6A2AKT1AKT2
SCHEMBL16418774 0.83 NOS3 (0.33) AKT1AKT2TRPM8
SCHEMBL15469390 0.82 AKT1 (0.33) AKT1AKT2TRPM8
SCHEMBL15469377 0.82 AKT1 (0.33) AKT1AKT2TRPM8
SCHEMBL15467738 0.82 TRPV3 (0.38) SLC6A4SLC6A3SLC6A2TRPM8
SCHEMBL15467739 0.82 TRPV3 (0.38) SLC6A4SLC6A3SLC6A2TRPM8
SCHEMBL16418712 0.81 TAAR1 (0.33) AKT1AKT2TRPM8

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 6 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-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-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
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 SLC6A4 720/4885SLC6A3 1726/4885SLC6A2 1105/4885
US-20140045855-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS TRPM8, TRPM5, TRPM7 SLC6A4 720/4885SLC6A3 1726/4885SLC6A2 1105/4885

“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.