SCHEMBL625302

SCHEMBL625302

O=C(CC1(c2cccc(OC(F)(F)F)c2)CCC1)c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
SCN9A Q15858 3/20 0.40
PDE2A O00408 1/20 0.38
TACR1 P25103 1/20 0.38
GRM4 Q14833 2/20 0.38
CTNNB1 P35222 1/20 0.37
WNT3A P56704 1/20 0.37
PKLR P30613 1/20 0.37
NOTUM Q6P988 1/20 0.36
SLC6A7 Q99884 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
CETP P11597 1/20 0.36
PDE4B Q07343 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
SCHEMBL627425 0.88 TLR7 (0.50) TLR7PDE2ACTNNB1WNT3A
SCHEMBL625891 0.84 SLC6A4 (0.49) HDAC3HDAC1HDAC2HDAC6TLR7
SCHEMBL626251 0.82 SLC6A4 (0.43) HDAC3HDAC1HDAC2HDAC6TLR7
SCHEMBL625382 0.81 RAB9A (0.46) HDAC3HDAC1HDAC2HDAC6TLR7
SCHEMBL624122 0.81 HSD11B1 (0.46) HDAC3HDAC1HDAC2HDAC6SCN9A
SCHEMBL628166 0.80 KDM4E (0.47) ALDH1A1GRM4CTNNB1WNT3A
SCHEMBL15011323 0.80 GRM4 (0.47) HDAC6RAB9AGRM4
SCHEMBL627876 0.78 TLR7 (0.48) TLR7ALDH1A1PDE2AGRM4CTNNB1
SCHEMBL625906 0.77 NR1I2 (0.46) HDAC3HDAC1HDAC2HDAC6TACR1
SCHEMBL628363 0.76 HSD11B1 (0.52) ALDH1A1RAB9AGRM4CTNNB1WNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156788-B2 TRPV3 modulators ABBVIE INC. (US) 2015-10-13 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
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 (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-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 HDAC3 613/4885HDAC1 995/4885HDAC2 823/4885

“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.