SCHEMBL625374

SCHEMBL625374

O=CC1(c2ccc(OC(F)(F)F)cc2)CCC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.47
SLC6A3 Q01959 8/20 0.47
SLC6A2 P23975 1/20 0.47
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
PDE2A O00408 3/20 0.39
HSD11B1 P28845 1/20 0.38
EPHX2 P34913 1/20 0.38
PTGS2 P35354 2/20 0.37
PTGS1 P23219 1/20 0.37

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
SCHEMBL8535883 0.93 SLC6A4 (0.45) SLC6A4SLC6A3SLC6A2PIM1PIM2
SCHEMBL22816524 0.82 MMP1 (0.41) SLC6A4SLC6A3SLC6A2PIM1PIM2
SCHEMBL626337 0.81 HDAC6 (0.42) PIM1PIM2HSD11B1EPHX2
SCHEMBL13107029 0.77 ALDH1A1 (0.44) SLC6A4SLC6A3SLC6A2
SCHEMBL626533 0.77 SLC6A3 (0.45) SLC6A4SLC6A3SLC6A2PIM1PIM2
SCHEMBL7263445 0.76 SLC6A4 (0.48) SLC6A4SLC6A3SLC6A2PIM1PIM2
SCHEMBL28888791 0.76 SLC6A4 (0.49) SLC6A4SLC6A3SLC6A2PIM1PIM2
SCHEMBL4554666 0.75 SLC6A4 (0.44) SLC6A4SLC6A3SLC6A2PIM1PIM2
SCHEMBL12020399 0.74 LIG1 (0.41) SLC6A4SLC6A3SLC6A2HSD11B1
SCHEMBL4283467 0.74 SLC6A4 (0.55) SLC6A4SLC6A3SLC6A2PIM1PIM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156788-B2 TRPV3 modulators ABBVIE INC. (US) 2015-10-13 US disclosed
US-8772500-B2 TRPV3 modulators ABBVIE INC. (US) 2014-07-08 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
US-20130131036-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-05-23 US disclosed
WO-2013062966-A2 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-05-02 WO 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 (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-20130131036-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 SLC6A4 467/4885SLC6A3 553/4885SLC6A2 1157/4885
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.