SCHEMBL625714

SCHEMBL625714

OC(CC1(c2cccc(F)c2)CCC1)c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
SLC6A2 P23975 1/20 0.43
TRPV3 Q8NET8 1/20 0.41
KDM4E B2RXH2 3/20 0.35
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
OPRL1 P41146 2/20 0.35
LMNA P02545 1/20 0.35
P2RX7 Q99572 1/20 0.34
KMT2A Q03164 1/20 0.34
CD74 P04233 1/20 0.34
MIF P14174 1/20 0.34
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
TEAD4 Q15561 1/20 0.33
GRIN2B Q13224 1/20 0.33

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
SCHEMBL624588 0.86 TRPV3 (0.43) SLC6A4SLC6A3SLC6A2TRPV3KDM4E
SCHEMBL624608 0.86 KDM4E (0.47) SLC6A4SLC6A3SLC6A2TRPV3KDM4E
SCHEMBL626127 0.85 TRPV3 (0.46) SLC6A4SLC6A3SLC6A2TRPV3KDM4E
SCHEMBL627064 0.85 SLC6A4 (0.49) SLC6A4SLC6A3SLC6A2TRPV3KDM4E
SCHEMBL27925738 0.85 SLC6A4 (0.41) SLC6A4SLC6A3SLC6A2TRPV3KDM4E
SCHEMBL27925739 0.83 SLC6A4 (0.41) SLC6A4SLC6A3SLC6A2TRPV3KDM4E
SCHEMBL625906 0.82 NR1I2 (0.46) TRPV3HDAC3HDAC1HDAC2HDAC6
SCHEMBL625340 0.81 TRPV3 (0.65) SLC6A4SLC6A3SLC6A2TRPV3
SCHEMBL625378 0.79 TRPV3 (0.49) SLC6A4SLC6A3SLC6A2TRPV3KDM4E
SCHEMBL625908 0.79 TRPV3 (0.65) SLC6A4SLC6A3SLC6A2TRPV3KDM4E

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-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
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-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 SLC6A4 467/4885SLC6A3 553/4885SLC6A2 1157/4885
US-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 SLC6A4 511/4885SLC6A3 717/4885SLC6A2 1774/4885
US-20140080803-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 SLC6A4 498/4885SLC6A3 747/4885SLC6A2 1776/4885

“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.