SCHEMBL626330

SCHEMBL626330

CC(c1cccc(C(F)(F)F)c1)C1(C(O)c2ccccn2)CCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 2/20 0.48
NPSR1 Q6W5P4 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PNMT P11086 1/20 0.40
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 1/20 0.39
NR1I2 O75469 1/20 0.38
KCNN4 O15554 2/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
KMT2A Q03164 1/20 0.36
PHGDH O43175 1/20 0.36
KCNQ2 O43526 1/20 0.36
CES2 O00748 1/20 0.36
ACP3 P15309 1/20 0.36

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
SCHEMBL14893921 0.87 TRPV3 (0.46) TRPV3NPSR1POLBMAPTNR1I2
SCHEMBL625818 0.85 TRPV3 (0.43) TRPV3POLBALDH1A1SLC6A2SLC6A4
SCHEMBL626095 0.83 TRPV3 (0.46) TRPV3POLBALDH1A1SLC6A2SLC6A4
SCHEMBL14895928 0.83 TRPV3 (0.48) TRPV3SLC6A2SLC6A4NR1I2OPRM1
SCHEMBL626384 0.79 TRPV3 (0.43) TRPV3ALDH1A1NR1I2OPRK1
SCHEMBL625314 0.77 TRPV3 (0.61) TRPV3NPSR1POLBMAPTSLC6A2
SCHEMBL625133 0.76 TRPV3 (0.48) TRPV3NPSR1POLBL3MBTL1SLC6A2
SCHEMBL625556 0.75 TRPV3 (0.43) TRPV3ALDH1A1SLC6A2SLC6A4NR1I2
SCHEMBL625770 0.75 TRPV3 (0.43) TRPV3ALDH1A1NR1I2
SCHEMBL624617 0.75 TLR7 (0.46) NPSR1ALDH1A1L3MBTL1SLC6A2SLC6A4

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-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
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-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 1/4885NPSR1 328/4885POLB 4768/4885
US-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPV3 1/4885NPSR1 285/4885POLB 4777/4885
US-20140080803-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPV3 1/4885NPSR1 254/4885POLB 4756/4885

“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.