SCHEMBL14893502

SCHEMBL14893502

Cc1ccccc1C1(C(O)c2ccccn2)CCCO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 2/20 0.42
GRIN2B Q13224 1/20 0.34
KDM4E B2RXH2 3/20 0.33
KCNA5 P22460 3/20 0.33
TP53 P04637 1/20 0.33
HDAC4 P56524 1/20 0.33
KCNE1 P15382 1/20 0.33
NR1I2 O75469 1/20 0.32
IDH1 O75874 1/20 0.32
SCN8A Q9UQD0 1/20 0.31
OPRK1 P41145 2/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRL1 P41146 1/20 0.30
ABCB11 O95342 1/20 0.30
LMNA P02545 1/20 0.30
ESR1 P03372 1/20 0.30
CYP3A4 P08684 1/20 0.30
ADRA2A P08913 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL14893575 0.85 TRPV3 (0.42) TRPV3KDM4EKCNA5TP53HDAC4
SCHEMBL14893872 0.80 TRPV3 (0.42) TRPV3KDM4ETP53HDAC4NR1I2
SCHEMBL14893377 0.79 NR1I2 (0.44) TRPV3NR1I2
SCHEMBL624839 0.78 TRPV3 (0.55) TRPV3GRIN2BKDM4EKCNA5TP53
SCHEMBL14893588 0.77 TRPV3 (0.65) TRPV3KDM4ENR1I2SLC6A3
SCHEMBL14893366 0.75 TRPV3 (0.45) TRPV3KDM4EKCNA5KCNE1NR1I2
SCHEMBL14893533 0.75 TRPV3 (0.42) TRPV3KDM4ENR1I2OPRK1OPRM1
SCHEMBL14893579 0.75 TRPV3 (0.43) TRPV3KDM4ENR1I2OPRK1OPRM1
SCHEMBL14893306 0.75 TRPV3 (0.47) TRPV3KDM4ENR1I2OPRK1OPRM1
SCHEMBL14893605 0.72 TRPV3 (0.45) TRPV3KDM4ENR1I2OPRK1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772500-B2 TRPV3 modulators ABBVIE INC. (US) 2014-07-08 US claimed
US-20130131036-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-05-23 US claimed
WO-2013062966-A2 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-05-02 WO claimed
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
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

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 TRPV3 1/4885GRIN2B 557/4885KDM4E 3571/4885
US-20140080803-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPV3 1/4885GRIN2B 659/4885KDM4E 3467/4885

“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.