SCHEMBL624714

SCHEMBL624714

OC(c1ccccn1)C1(c2cccc(OC(F)(F)F)c2)CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.56
TRPV3 Q8NET8 2/20 0.47
HDAC6 Q9UBN7 2/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
CETP P11597 8/20 0.38
ALOX5 P09917 1/20 0.38
GRM5 P41594 1/20 0.38
DYRK1A Q13627 2/20 0.35
PKLR P30613 1/20 0.35
ICMT O60725 1/20 0.35
TACR1 P25103 1/20 0.34

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
SCHEMBL14893868 0.94 NR1I2 (0.54) NR1I2TRPV3HDAC6HDAC3HDAC1
SCHEMBL624452 0.90 NR1I2 (0.59) NR1I2TRPV3HDAC6HDAC3HDAC1
SCHEMBL624525 0.88 NR1I2 (0.72) NR1I2TRPV3HDAC6
SCHEMBL14893784 0.87 NR1I2 (0.56) NR1I2TRPV3HDAC6HDAC3HDAC1
SCHEMBL14893525 0.85 NR1I2 (0.60) NR1I2TRPV3HDAC6HDAC3HDAC1
SCHEMBL14894322 0.85 NR1I2 (0.54) NR1I2TRPV3HDAC6HDAC3HDAC1
SCHEMBL14894118 0.85 NR1I2 (0.78) NR1I2TRPV3HDAC6HDAC3HDAC1
SCHEMBL14893800 0.84 NR1I2 (0.57) NR1I2TRPV3HDAC6HDAC3HDAC1
SCHEMBL14893738 0.84 NR1I2 (0.57) NR1I2TRPV3HDAC6HDAC3HDAC1
SCHEMBL14893798 0.84 NR1I2 (0.57) NR1I2TRPV3HDAC6HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156788-B2 TRPV3 modulators ABBVIE INC. (US) 2015-10-13 US claimed
EP-2603490-A1 NOVEL TRPV3 MODULATORS AbbVie Inc. (US) 2013-06-19 EP claimed
WO-2012019315-A1 NOVEL TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-02-16 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
EP-2603490-A1 NOVEL TRPV3 MODULATORS AbbVie Inc. (US) 2013-06-19 EP 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-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 NR1I2 210/4885TRPV3 1/4885HDAC6 1363/4885
US-20140080803-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 NR1I2 221/4885TRPV3 1/4885HDAC6 1169/4885

“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.