SCHEMBL8918676

SCHEMBL8918676

CCC(=O)C(c1cccc(F)c1)N(C)C

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
OPRL1 P41146 8/20 0.43
OPRM1 P35372 8/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
AOC3 Q16853 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 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
SCHEMBL890129 0.82 HDAC4 (0.47) MEN1KMT2AHDAC4HDAC7HDAC5
SCHEMBL755740 0.82 MEN1 (0.48) MEN1KMT2AHDAC4HDAC7HDAC5
SCHEMBL10140990 0.81 ALDH1A1 (0.43) MEN1KMT2AOPRL1OPRM1AOC3
SCHEMBL13747630 0.81 TRPM8 (0.47) MEN1KMT2AHDAC4HDAC7HDAC5
Hydrochloric Acid SCHEMBL7486109 0.81 HDAC4 (0.46) MEN1KMT2AHDAC4HDAC7HDAC5
SCHEMBL8916533 0.81 CES2 (0.47) MEN1KMT2ACES2SLC6A2SLC6A4
SCHEMBL12980850 0.80 ALDH1A1 (0.46) MEN1KMT2AOPRM1AOC3
SCHEMBL8921081 0.80 ALDH1A1 (0.46) MEN1KMT2AOPRM1AOC3
SCHEMBL8916649 0.80 RIPK1 (0.51) MEN1KMT2AHDAC4HDAC7HDAC5
SCHEMBL888867 0.79 HDAC4 (0.45) MEN1KMT2AHDAC4HDAC7HDAC5

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
WO-2013059278-A2 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2013-04-25 WO disclosed
US-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-20110250172-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-10-13 US disclosed
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-09 US disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
WO-2010099527-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-09-02 WO disclosed
WO-2010096462-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC (US) 2010-08-26 WO disclosed
WO-2010091413-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2010-08-12 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-20110250172-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 MEN1 4782/4885KMT2A 2957/4885HDAC4 655/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 MEN1 4836/4885KMT2A 2844/4885HDAC4 210/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 MEN1 4801/4885KMT2A 2014/4885HDAC4 200/4885

“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.