SCHEMBL624615

SCHEMBL624615

OC(c1ncccn1)C1(c2cccc(F)c2)CCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.46
P2RX7 Q99572 1/20 0.38
HDAC6 Q9UBN7 5/20 0.37
HDAC3 O15379 4/20 0.37
HDAC1 Q13547 4/20 0.37
HDAC2 Q92769 4/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
SLC6A2 P23975 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
KDM1A O60341 2/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 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
SCHEMBL625908 0.85 TRPV3 (0.65) TRPV3P2RX7HDAC6HDAC3HDAC1
SCHEMBL625886 0.84 TRPV3 (0.46) TRPV3P2RX7HDAC6HDAC3HDAC1
SCHEMBL624746 0.83 TRPV3 (0.49) TRPV3HDAC6HDAC3HDAC1HDAC2
SCHEMBL624777 0.79 NR1I2 (0.43) TRPV3HDAC6HDAC3HDAC1HDAC2
SCHEMBL627086 0.77 GRIN1 (0.49) TRPV3HDAC6CYP2C19CYP2C9ALDH1A1
SCHEMBL624829 0.77 TRPV3 (0.74) TRPV3SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL627342 0.77 TRPV3 (0.74) TRPV3SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL624830 0.77 TRPV3 (0.74) TRPV3SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL627085 0.76 TRPV3 (0.38) TRPV3HDAC6HDAC3HDAC1HDAC2
SCHEMBL625376 0.74 TRPV3 (0.43) TRPV3HDAC6HDAC3HDAC1HDAC2

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 13 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-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 1/4885P2RX7 33/4885HDAC6 1363/4885
US-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPV3 1/4885P2RX7 33/4885HDAC6 1203/4885
US-20140080803-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPV3 1/4885P2RX7 36/4885HDAC6 1169/4885

“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.