SCHEMBL14893409

SCHEMBL14893409

Nc1cccnc1C(O)C1(c2cccc(OC(F)(F)F)c2)CCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.39
HDAC6 Q9UBN7 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
TRPV3 Q8NET8 1/20 0.37
PKLR P30613 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SLC40A1 Q9NP59 1/20 0.34
CTSD P07339 4/20 0.34
BACE1 P56817 4/20 0.34
BACE2 Q9Y5Z0 3/20 0.34
SLC6A9 P48067 1/20 0.34
REN P00797 1/20 0.34
CETP P11597 5/20 0.34
GPR52 Q9Y2T5 1/20 0.34
OPRL1 P41146 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
SCHEMBL14893553 0.88 NR1I2 (0.51) NR1I2TRPV3SLC6A2SLC6A4SLC6A3
SCHEMBL624777 0.84 NR1I2 (0.43) NR1I2HDAC6HDAC3HDAC1HDAC2
SCHEMBL14893803 0.84 SLC6A4 (0.41) HDAC6HDAC3HDAC1HDAC2TRPV3
SCHEMBL624452 0.81 NR1I2 (0.59) NR1I2HDAC6HDAC3HDAC1HDAC2
SCHEMBL14893943 0.78 TRPV3 (0.39) NR1I2TRPV3SLC6A4SLC6A3OPRL1
SCHEMBL14893823 0.78 HSD11B1 (0.42) HDAC6HDAC3HDAC1HDAC2PKLR
SCHEMBL14893513 0.75 TRPV3 (0.65) TRPV3SLC6A2SLC6A4SLC6A3
SCHEMBL627085 0.74 TRPV3 (0.38) NR1I2HDAC6HDAC3HDAC1HDAC2
SCHEMBL14893655 0.73 HDAC6 (0.38) NR1I2HDAC6HDAC3HDAC1HDAC2
SCHEMBL14893772 0.73 PKLR (0.36) NR1I2HDAC6HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131036-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-05-23 US claimed
WO-2013062966-A2 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-05-02 WO claimed
US-8772500-B2 TRPV3 modulators ABBVIE INC. (US) 2014-07-08 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 NR1I2 210/4885HDAC6 1363/4885HDAC3 757/4885

“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.