SCHEMBL625770

SCHEMBL625770

CC(c1ccccc1F)C1(C(O)c2ccccn2)CCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.38
NR1I2 O75469 1/20 0.38
KCNA5 P22460 5/20 0.35
KDM4E B2RXH2 4/20 0.35
KCNE1 P15382 1/20 0.34
TP53 P04637 1/20 0.34
GRM4 Q14833 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
FFAR2 O15552 1/20 0.33
KCNH2 Q12809 1/20 0.33
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL626138 0.85 TRPV3 (0.44) TRPV3NR1I2KCNA5KDM4EKCNE1
SCHEMBL624598 0.84 TRPV3 (0.52) TRPV3NR1I2KCNA5KDM4EKCNE1
SCHEMBL626384 0.83 TRPV3 (0.43) TRPV3SMN1; SMN2NR1I2KCNA5KDM4E
SCHEMBL626095 0.82 TRPV3 (0.46) TRPV3NR1I2KCNA5KDM4EKCNE1
SCHEMBL625818 0.80 TRPV3 (0.43) TRPV3SMN1; SMN2NR1I2KDM4ECYP1A2
SCHEMBL625133 0.78 TRPV3 (0.48) TRPV3SMN1; SMN2NR1I2KCNA5FFAR2
SCHEMBL14893921 0.78 TRPV3 (0.46) TRPV3NR1I2CYP3A4
SCHEMBL14895928 0.75 TRPV3 (0.48) TRPV3SMN1; SMN2NR1I2KCNA5TP53
SCHEMBL626330 0.75 TRPV3 (0.48) TRPV3NR1I2ALDH1A1
SCHEMBL624769 0.74 TRPV3 (0.55) TRPV3SMN1; SMN2NR1I2KCNA5KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2603490-A1 NOVEL TRPV3 MODULATORS AbbVie Inc. (US) 2013-06-19 EP claimed
US-20130150409-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-06-13 US claimed
WO-2012019315-A1 NOVEL TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-02-16 WO 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-8772500-B2 TRPV3 modulators ABBVIE INC. (US) 2014-07-08 US disclosed
US-8772499-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-2013062964-A2 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-05-02 WO 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 (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 1/4885SMN1; SMN2 3680/4885NR1I2 210/4885
US-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPV3 1/4885SMN1; SMN2 3887/4885NR1I2 219/4885
US-20140080803-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPV3 1/4885SMN1; SMN2 3605/4885NR1I2 221/4885

“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.