SCHEMBL624588

SCHEMBL624588

OC(CC1(c2ccc(F)cc2)CCC1)c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.43
SLC6A3 Q01959 3/20 0.40
HSD11B1 P28845 2/20 0.40
SLC6A4 P31645 2/20 0.38
SLC6A2 P23975 1/20 0.38
KDM4E B2RXH2 2/20 0.37
GRIN2B Q13224 1/20 0.36
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
NR1I2 O75469 1/20 0.36
NPY5R Q15761 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CACNA1G O43497 1/20 0.34
RORC P51449 1/20 0.34
KCNA5 P22460 3/20 0.34
KCNE1 P15382 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
SCHEMBL624608 0.89 KDM4E (0.47) TRPV3SLC6A3SLC6A4SLC6A2KDM4E
SCHEMBL625378 0.87 TRPV3 (0.49) TRPV3SLC6A3HSD11B1SLC6A4SLC6A2
SCHEMBL625714 0.86 SLC6A4 (0.43) TRPV3SLC6A3SLC6A4SLC6A2KDM4E
SCHEMBL625411 0.86 SLC6A3 (0.44) TRPV3SLC6A3SLC6A4SLC6A2KDM4E
SCHEMBL28804184 0.84 HSD11B1 (0.43) TRPV3SLC6A3HSD11B1SLC6A4SLC6A2
SCHEMBL626047 0.83 NR1I2 (0.56) TRPV3SLC6A3SLC6A4SLC6A2NR1I2
SCHEMBL28804188 0.82 SLC6A3 (0.38) TRPV3SLC6A3HSD11B1SLC6A4SLC6A2
SCHEMBL625340 0.81 TRPV3 (0.65) TRPV3SLC6A3SLC6A4SLC6A2
SCHEMBL626127 0.79 TRPV3 (0.46) TRPV3SLC6A3SLC6A4SLC6A2KDM4E
SCHEMBL627064 0.78 SLC6A4 (0.49) TRPV3SLC6A3SLC6A4SLC6A2KDM4E

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 16 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
CN-103140476-A Novel trpv3 modulators ABBOTT LAB 2013-06-05 CN 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
CN-103140476-A Novel trpv3 modulators ABBOTT LAB 2013-06-05 CN 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 TRPV3 1/4885SLC6A3 553/4885HSD11B1 2884/4885
US-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPV3 1/4885SLC6A3 717/4885HSD11B1 2616/4885
US-20140080803-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPV3 1/4885SLC6A3 747/4885HSD11B1 2665/4885

“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.