SCHEMBL624767

SCHEMBL624767

OC(c1ccccn1)C1(c2cc(F)cc(C(F)(F)F)c2)CCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 2/20 0.59
NR1I2 O75469 1/20 0.44
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.33
TSHR P16473 4/20 0.33
CYP1A2 P05177 3/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2D6 P10635 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HTT P42858 1/20 0.31

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
SCHEMBL624676 0.93 TRPV3 (0.64) TRPV3NR1I2SMN1; SMN2TSHRCYP1A2
SCHEMBL625314 0.86 TRPV3 (0.61) TRPV3NR1I2NPSR1POLBMAPT
SCHEMBL625795 0.84 TRPV3 (0.62) TRPV3NR1I2MAPTKDM4EOPRM1
SCHEMBL625794 0.84 TRPV3 (0.62) TRPV3NR1I2MAPTKDM4EOPRM1
SCHEMBL14893473 0.84 TRPV3 (0.56) TRPV3NR1I2SMN1; SMN2TSHRCYP1A2
SCHEMBL625908 0.82 TRPV3 (0.65) TRPV3NR1I2SMN1; SMN2TSHRCYP3A4
SCHEMBL625858 0.80 TRPV3 (0.66) TRPV3NR1I2ALDH1A1KDM4EOPRM1
SCHEMBL624476 0.79 TRPV3 (0.53) TRPV3NR1I2NPSR1POLBMAPT
SCHEMBL624376 0.79 TRPV3 (0.62) TRPV3NR1I2KDM4EGRM4OPRM1
SCHEMBL624475 0.79 TRPV3 (0.53) TRPV3NR1I2NPSR1POLBMAPT

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-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 210/4885UBE2M 4367/4885
US-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPV3 1/4885NR1I2 219/4885UBE2M 4652/4885
US-20140080803-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPV3 1/4885NR1I2 221/4885UBE2M 4686/4885

“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.