SCHEMBL624825

SCHEMBL624825

OC(c1ncccn1)C1(c2ccc(OC(F)(F)F)cc2)CCC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.57
SLC6A4 P31645 12/20 0.51
SLC6A3 Q01959 9/20 0.51
SLC6A2 P23975 2/20 0.51
PDE2A O00408 4/20 0.41
TRPV3 Q8NET8 1/20 0.41
TLR7 Q9NYK1 1/20 0.36
DHODH Q02127 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
SCHEMBL624777 0.86 NR1I2 (0.43) NR1I2SLC6A4SLC6A3SLC6A2PDE2A
SCHEMBL14893424 0.86 NR1I2 (0.77) NR1I2SLC6A4SLC6A3SLC6A2PDE2A
SCHEMBL623952 0.86 NR1I2 (0.77) NR1I2SLC6A4SLC6A3SLC6A2PDE2A
SCHEMBL14893657 0.85 NR1I2 (0.61) NR1I2SLC6A4SLC6A3SLC6A2PDE2A
SCHEMBL14893656 0.85 NR1I2 (0.61) NR1I2SLC6A4SLC6A3SLC6A2PDE2A
SCHEMBL14894235 0.85 NR1I2 (0.61) NR1I2SLC6A4SLC6A3SLC6A2PDE2A
SCHEMBL14894530 0.85 NR1I2 (0.61) NR1I2SLC6A4SLC6A3SLC6A2PDE2A
SCHEMBL14893508 0.85 NR1I2 (0.61) NR1I2SLC6A4SLC6A3SLC6A2PDE2A
SCHEMBL14893553 0.83 NR1I2 (0.51) NR1I2SLC6A4SLC6A3SLC6A2PDE2A
SCHEMBL624514 0.82 TRPV3 (0.43) NR1I2SLC6A4SLC6A3SLC6A2PDE2A

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 NR1I2 210/4885SLC6A4 467/4885SLC6A3 553/4885
US-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 NR1I2 219/4885SLC6A4 511/4885SLC6A3 717/4885
US-20140080803-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 NR1I2 221/4885SLC6A4 498/4885SLC6A3 747/4885

“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.