SCHEMBL15710056

SCHEMBL15710056

COC(=O)c1cc(C(F)(F)F)cc(N[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)c1C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 5/20 0.39
▸ KDM1A O60341 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ MCHR1 Q99705 1/20 0.38
▸ CCRL2 O00421 1/20 0.37
▸ YAP1 P46937 1/20 0.36
▸ NOTUM Q6P988 1/20 0.36
▸ STS P08842 1/20 0.35
▸ DRD2 P14416 3/20 0.35
▸ CFTR P13569 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.34
▸ KCNA3 P22001 1/20 0.34

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
SCHEMBL13280743 1.00 BTK (0.39) BTKKDM1AMAOBADRA2AADRA1A
SCHEMBL13280699 0.85 BTK (0.40) BTKKDM1AMAOBYAP1DRD2
SCHEMBL15732166 0.85 BTK (0.40) BTKKDM1AMAOBYAP1DRD2
SCHEMBL13276690 0.85 BTK (0.40) BTKKDM1AMAOBYAP1DRD2
SCHEMBL13276862 0.85 BTK (0.40) BTKKDM1AMAOBYAP1DRD2
SCHEMBL15710041 0.85 BTK (0.40) BTKKDM1AMAOBYAP1DRD2
SCHEMBL13467831 0.85 BTK (0.48) BTKKDM1AMAOBYAP1DRD2
SCHEMBL15732184 0.85 BTK (0.40) BTKKDM1AMAOBYAP1DRD2
SCHEMBL15711089 0.85 BTK (0.48) BTKKDM1AMAOBYAP1DRD2
SCHEMBL13280371 0.84 YAP1 (0.49) KDM1AYAP1NOTUMCFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3470396-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2019-04-17 — — EP disclosed
EP-3165520-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme Inc (US) 2017-05-10 — — EP disclosed
US-20160332969-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2016-11-17 — — US disclosed
US-9376422-B2 Dihidropyridin-2-one benzamine compounds Epizyme, Inc. (US) 2016-06-28 — — US disclosed
EP-2697198-B1 SUBSTITUTED BENZENE COMPOUNDS EPIZYME INC (US) 2016-06-08 — — EP disclosed
US-20140142083-A1 Substituted Benzene Compounds Epizyme, Inc. (US) 2014-05-22 — — US disclosed
US-20140142083-A1 Substituted Benzene Compounds Epizyme, Inc. (US) 2014-05-22 — — US 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-20140142083-A1 Substituted Benzene Compounds CYP1B1, TP53, VHL BTK 438/4885KDM1A 867/4885MAOB 269/4885
US-20160332969-A1 SUBSTITUTED BENZENE COMPOUNDS CYP1B1, TP53, VHL BTK 438/4885KDM1A 867/4885MAOB 269/4885

“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.

Send feedback