SCHEMBL624475

SCHEMBL624475

O[C@H](c1ccccn1)C1(c2ccc(C(F)(F)F)cc2F)CCC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 2/20 0.53
NR1I2 O75469 1/20 0.42
PDE2A O00408 8/20 0.39
NPSR1 Q6W5P4 3/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34
ATM Q13315 1/20 0.34
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
SLC6A9 P48067 1/20 0.33
SLC22A12 Q96S37 1/20 0.32

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
SCHEMBL624476 1.00 TRPV3 (0.53) TRPV3NR1I2PDE2ANPSR1MAPT
SCHEMBL624769 0.82 TRPV3 (0.55) TRPV3NR1I2NPSR1
SCHEMBL625794 0.82 TRPV3 (0.62) TRPV3NR1I2PDE2AMAPT
SCHEMBL625795 0.82 TRPV3 (0.62) TRPV3NR1I2PDE2AMAPT
SCHEMBL14893585 0.81 TRPV3 (0.73) TRPV3NR1I2NPSR1MAPTPOLB
SCHEMBL14893594 0.81 TRPV3 (0.73) TRPV3NR1I2NPSR1MAPTPOLB
SCHEMBL625314 0.81 TRPV3 (0.61) TRPV3NR1I2NPSR1MAPTPOLB
SCHEMBL14893372 0.81 TRPV3 (0.73) TRPV3NR1I2NPSR1MAPTPOLB
SCHEMBL624676 0.81 TRPV3 (0.64) TRPV3NR1I2NPSR1MAPTPOLB
SCHEMBL625260 0.79 TRPV3 (0.52) TRPV3NR1I2HDAC6SLC6A9

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130150409-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-06-13 US 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-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 1/4885NR1I2 210/4885PDE2A 698/4885
US-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPV3 1/4885NR1I2 219/4885PDE2A 807/4885
US-20140080803-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPV3 1/4885NR1I2 221/4885PDE2A 765/4885

“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.