SCHEMBL625906

SCHEMBL625906

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.46
CETP P11597 14/20 0.40
HDAC6 Q9UBN7 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
TACR1 P25103 1/20 0.38
TRPV3 Q8NET8 1/20 0.37
GRM5 P41594 1/20 0.35

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
SCHEMBL626047 0.88 NR1I2 (0.56) NR1I2TRPV3
SCHEMBL14893488 0.88 NR1I2 (0.44) NR1I2CETPHDAC6HDAC3HDAC1
SCHEMBL627064 0.84 SLC6A4 (0.49) TRPV3
SCHEMBL625714 0.82 SLC6A4 (0.43) HDAC6HDAC3HDAC1HDAC2TRPV3
SCHEMBL624452 0.81 NR1I2 (0.59) NR1I2CETPHDAC6HDAC3HDAC1
SCHEMBL624608 0.80 KDM4E (0.47) TRPV3
SCHEMBL626127 0.80 TRPV3 (0.46) HDAC6HDAC3HDAC1HDAC2TRPV3
SCHEMBL625907 0.79 NR1I2 (0.46) NR1I2CETPHDAC6HDAC3HDAC1
SCHEMBL625411 0.78 SLC6A3 (0.44) NR1I2TACR1TRPV3
SCHEMBL625302 0.77 HDAC3 (0.42) CETPHDAC6HDAC3HDAC1HDAC2

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
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
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
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-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 NR1I2 210/4885CETP 4712/4885HDAC6 1363/4885
US-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 NR1I2 219/4885CETP 4565/4885HDAC6 1203/4885
US-20140080803-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 NR1I2 221/4885CETP 4549/4885HDAC6 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.