SCHEMBL626337

SCHEMBL626337

O=CC1(c2cccc(OC(F)(F)F)c2)CCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
TACR1 P25103 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
SLC6A9 P48067 1/20 0.39
GALR1 P47211 1/20 0.39
OPRL1 P41146 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
HSD11B1 P28845 1/20 0.38
FFAR4 Q5NUL3 2/20 0.36
SLC22A12 Q96S37 1/20 0.36
TAS1R3 Q7RTX0 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
SCHEMBL14894532 0.85 PIM1 (0.41) HDAC6HDAC3HDAC1HDAC2PIM1
SCHEMBL625374 0.81 SLC6A4 (0.47) PIM1PIM2HSD11B1EPHX2
SCHEMBL23231256 0.77 HDAC3 (0.42) HDAC6HDAC3HDAC1HDAC2
SCHEMBL23231378 0.77 MEN1 (0.47) HDAC6HDAC3HDAC1HDAC2TACR1
SCHEMBL14893684 0.77 SLC6A4 (0.50) HDAC6HDAC3HDAC1HDAC2OPRL1
SCHEMBL27907577 0.77 HDAC3 (0.47) HDAC6HDAC3HDAC1HDAC2PIM1
SCHEMBL19469650 0.75 AKR1C1 (0.50) HDAC6HDAC3HDAC1HDAC2TACR1
SCHEMBL8535883 0.74 SLC6A4 (0.45) PIM1PIM2EPHX2
SCHEMBL626023 0.74 KDM1A (0.43) HDAC6HDAC3HDAC1HDAC2OPRL1
SCHEMBL15862781 0.74 SLC6A4 (0.54) HDAC6HDAC3HDAC1HDAC2OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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 (2 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 HDAC6 1363/4885HDAC3 757/4885HDAC1 1459/4885
US-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 HDAC6 1203/4885HDAC3 613/4885HDAC1 995/4885

“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.