SCHEMBL624768

SCHEMBL624768

OC(c1ccccn1)C1(c2cccc(Oc3ccccc3)c2)CCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 2/20 0.61
NR1I2 O75469 1/20 0.43
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.35
GRM5 P41594 1/20 0.34
ADAM17 P78536 1/20 0.34
PARP10 Q53GL7 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CETP P11597 1/20 0.33
IP6K1 Q92551 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
SCHEMBL625942 0.89 TRPV3 (0.62) TRPV3NR1I2OPRM1OPRD1OPRK1
SCHEMBL624452 0.85 NR1I2 (0.59) TRPV3NR1I2GRM5CETP
SCHEMBL625908 0.81 TRPV3 (0.65) TRPV3NR1I2OPRM1OPRD1OPRK1
SCHEMBL624783 0.81 TRPV3 (0.65) TRPV3NR1I2OPRM1OPRD1OPRK1
SCHEMBL625314 0.78 TRPV3 (0.61) TRPV3NR1I2OPRM1OPRD1OPRK1
SCHEMBL14956815 0.77 TRPV3 (0.66) TRPV3NR1I2OPRM1OPRD1OPRK1
SCHEMBL625811 0.76 TRPV3 (0.65) TRPV3NR1I2OPRM1OPRD1OPRK1
SCHEMBL625802 0.76 TRPV3 (0.69) TRPV3NR1I2OPRM1OPRD1OPRK1
SCHEMBL625563 0.76 TRPV3 (1.00) TRPV3NR1I2
SCHEMBL625562 0.76 TRPV3 (1.00) TRPV3NR1I2

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 11 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
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-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 1/4885NR1I2 210/4885OPRM1 175/4885
US-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPV3 1/4885NR1I2 219/4885OPRM1 121/4885
US-20140080803-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPV3 1/4885NR1I2 221/4885OPRM1 121/4885

“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.