SCHEMBL625393

SCHEMBL625393

CC(c1cccc(C(F)(F)F)c1)C1(C#N)CCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.43
SLC6A4 P31645 2/20 0.43
PNMT P11086 1/20 0.39
EPHX1 P07099 1/20 0.39
DAO P14920 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
HSD11B1 P28845 1/20 0.37
CES2 O00748 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ACP3 P15309 1/20 0.37
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL624834 0.82 PDE2A (0.37) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL15011535 0.81 CTSL (0.36) SLC6A2OPRM1OPRD1OPRK1OPRL1
SCHEMBL624807 0.78 SLC6A2 (0.40) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL2467274 0.77 TRPA1 (0.35) OPRM1OPRD1OPRK1OPRL1
SCHEMBL3362836 0.77 TRPA1 (0.35) OPRM1OPRD1OPRK1OPRL1
SCHEMBL27925680 0.76 SLC6A2 (0.44) SLC6A2SLC6A4PNMTEPHX1DAO
SCHEMBL27925682 0.76 SLC6A2 (0.50) SLC6A2SLC6A4PNMTEPHX1OPRM1
SCHEMBL27907588 0.75 EPHX1 (0.46) SLC6A2SLC6A4PNMTEPHX1DAO
SCHEMBL27907589 0.75 SLC6A2 (0.43) SLC6A2SLC6A4PNMTEPHX1DAO
SCHEMBL3913019 0.72 PNMT (0.47) SLC6A4PNMTEPHX1DAOOPRK1

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-9156788-B2 TRPV3 modulators ABBVIE INC. (US) 2015-10-13 US disclosed
EP-2603490-A1 NOVEL TRPV3 MODULATORS AbbVie Inc. (US) 2013-06-19 EP disclosed
US-20130150409-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-06-13 US disclosed
WO-2012019315-A1 NOVEL TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-02-16 WO 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 (1 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-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 SLC6A2 1774/4885SLC6A4 511/4885PNMT 4341/4885

“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.