SCHEMBL16797883

SCHEMBL16797883

CONCc1ccccc1OC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ TACR1 P25103 1/20 0.43
▸ PPARG P37231 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KCNN3 Q9UGI6 1/20 0.41
▸ HCRTR1 O43613 1/20 0.41
▸ HCRTR2 O43614 1/20 0.41
▸ EPHX2 P34913 3/20 0.41
▸ NTRK1 P04629 2/20 0.41
▸ SLC6A3 Q01959 3/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ DRD2 P14416 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41

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
SCHEMBL3130662 0.82 MCL1 (0.53) HDAC3HDAC1HDAC2HDAC6TACR1
SCHEMBL22957856 0.80 HDAC3 (0.49) HDAC3HDAC1HDAC2HDAC6TACR1
SCHEMBL13875905 0.79 HTT (0.51) HDAC3HDAC1HDAC2HDAC6TACR1
SCHEMBL29808598 0.79 GAA (0.54) HDAC3HDAC1HDAC2HDAC6TACR1
SCHEMBL24710168 0.79 MAPT (0.58) HDAC3HDAC1HDAC2HDAC6TACR1
SCHEMBL3847471 0.78 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC6TACR1
SCHEMBL15979344 0.78 TACR1 (0.45) HDAC3HDAC1HDAC2HDAC6TACR1
SCHEMBL2091982 0.77 IDO1 (0.44) HDAC3HDAC1HDAC2HDAC6ALDH1A1
SCHEMBL16269347 0.76 CHRM2 (0.48) SLC6A3SLC6A2SLC6A4DRD2CYP2D6
SCHEMBL1046654 0.76 MAPT (0.48) HDAC3HDAC1HDAC2HDAC6PPARG

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-9776991-B2 Thienomethylpiperazine derivatives as inhibitors of soluble epoxide hydrolase SANOFI (FR) 2017-10-03 — — US disclosed
US-20160326146-A1 THIENOMETHYLPIPERAZINE DERIVATIVES AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE SANOFI (FR) 2016-11-10 — — US disclosed
EP-3077380-A1 THIENOMETHYLPIPERAZINE DERIVATIVES AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE Sanofi (FR) 2016-10-12 — — EP disclosed
WO-2015082474-A1 THIENOMETHYLPIPERAZINE DERIVATIVES AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE SANOFI (FR) 2015-06-11 — — 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-20160326146-A1 THIENOMETHYLPIPERAZINE DERIVATIVES AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE EPHX1, EPHX2, LTA4H HDAC3 2995/4885HDAC1 2931/4885HDAC2 2549/4885

“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.

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