SCHEMBL625406

SCHEMBL625406

O=C(O)CC1(c2cccc(C(F)(F)F)c2)CCC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.59
SLC6A3 Q01959 2/20 0.56
SLC6A2 P23975 1/20 0.56
CCR2 P41597 2/20 0.53
EPHX2 P34913 1/20 0.49
HSD11B1 P28845 1/20 0.49
OPRM1 P35372 3/20 0.46
CNR2 P34972 1/20 0.46
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
OPRL1 P41146 3/20 0.43
KDM1A O60341 2/20 0.43
OPRK1 P41145 1/20 0.43
HCAR3 P49019 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42

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
SCHEMBL17761304 0.87 SLC6A4 (0.62) SLC6A4SLC6A3SLC6A2CCR2EPHX2
SCHEMBL5079244 0.83 SLC6A4 (0.52) SLC6A4SLC6A3SLC6A2CCR2EPHX2
SCHEMBL14893184 0.82 SLC6A4 (0.66) SLC6A4SLC6A3SLC6A2CCR2EPHX2
SCHEMBL625060 0.82 HSD11B1 (0.62) SLC6A4SLC6A3SLC6A2EPHX2HSD11B1
SCHEMBL17761230 0.81 SLC6A4 (0.57) SLC6A4SLC6A3SLC6A2CCR2HSD11B1
SCHEMBL627858 0.81 HSD11B1 (0.60) SLC6A4SLC6A3SLC6A2CCR2HSD11B1
SCHEMBL624806 0.80 SLC6A4 (0.56) SLC6A4SLC6A3SLC6A2CCR2EPHX2
SCHEMBL624122 0.80 HSD11B1 (0.46) HSD11B1
SCHEMBL28886303 0.79 TACR1 (0.50) SLC6A4SLC6A3SLC6A2CCR2OPRM1
SCHEMBL625891 0.79 SLC6A4 (0.49) SLC6A4SLC6A3SLC6A2CCR2OPRM1

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 5 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
CN-103140476-A Novel trpv3 modulators ABBOTT LAB 2013-06-05 CN 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 SLC6A4 511/4885SLC6A3 717/4885SLC6A2 1774/4885

“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.