SCHEMBL626384

SCHEMBL626384

CC(c1ccc(F)cc1)C1(C(O)c2ccccn2)CCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 2/20 0.43
NR1I2 O75469 1/20 0.40
DRD2 P14416 3/20 0.39
DRD3 P35462 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
MAPK1 P28482 2/20 0.35
KCNA5 P22460 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 3/20 0.34
LMNA P02545 2/20 0.34
ABCB11 O95342 1/20 0.33
ESR1 P03372 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADRA2A P08913 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
PDE4A P27815 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRK1 P41145 1/20 0.33
STAT6 P42226 1/20 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
SCHEMBL626095 0.89 TRPV3 (0.46) TRPV3NR1I2KCNA5ALDH1A1KDM4E
SCHEMBL625133 0.87 TRPV3 (0.48) TRPV3NR1I2SIGMAR1KCNA5LMNA
SCHEMBL14893921 0.86 TRPV3 (0.46) TRPV3NR1I2DRD2CYP3A4OPRK1
SCHEMBL625818 0.86 TRPV3 (0.43) TRPV3NR1I2ALDH1A1KDM4ELMNA
SCHEMBL625770 0.83 TRPV3 (0.43) TRPV3NR1I2KCNA5ALDH1A1KDM4E
SCHEMBL14895928 0.79 TRPV3 (0.48) TRPV3NR1I2KCNA5OPRK1SLC6A3
SCHEMBL626138 0.79 TRPV3 (0.44) TRPV3NR1I2KCNA5KDM4ELMNA
SCHEMBL626330 0.79 TRPV3 (0.48) TRPV3NR1I2ALDH1A1OPRK1
SCHEMBL624598 0.78 TRPV3 (0.52) TRPV3NR1I2KCNA5ALDH1A1KDM4E
SCHEMBL625858 0.76 TRPV3 (0.66) TRPV3NR1I2DRD2DRD3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130150409-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-06-13 US claimed
US-9156788-B2 TRPV3 modulators ABBVIE INC. (US) 2015-10-13 US disclosed
EP-2771322-A2 NOVEL TRPV3 MODULATORS AbbVie Inc. (US) 2014-09-03 EP disclosed
US-8772499-B2 TRPV3 modulators ABBVIE INC. (US) 2014-07-08 US disclosed
US-8772500-B2 TRPV3 modulators ABBVIE INC. (US) 2014-07-08 US disclosed
US-20140080803-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2014-03-20 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
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-2013062964-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 (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-20130131036-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPV3 1/4885NR1I2 210/4885DRD2 1885/4885
US-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPV3 1/4885NR1I2 219/4885DRD2 2009/4885
US-20140080803-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPV3 1/4885NR1I2 221/4885DRD2 1702/4885

“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.