SCHEMBL17026878

SCHEMBL17026878

COc1cc(Br)c2c(c1)OC(C)(C)CN2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.44
▸ HTR2C P28335 2/20 0.32
▸ ADRB2 P07550 1/20 0.32
▸ ADRB1 P08588 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ CYP19A1 P11511 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL17026891 0.84 KDM4E (0.37) KDM4E
SCHEMBL17027090 0.81 KDM4E (0.37) KDM4EALDH1A1
SCHEMBL17027127 0.77 KDM4E (0.35) KDM4E
SCHEMBL17026935 0.77 KDM4E (0.35) KDM4E
SCHEMBL17026800 0.77 KDM4E (0.35) KDM4E
SCHEMBL17027043 0.76 KDM4E (0.34) KDM4E
SCHEMBL17026776 0.73 KDM4E (0.46) KDM4EHTR2CHTR7HTR2BSIGMAR1
SCHEMBL4868284 0.71 ALDH1A1 (0.37) KDM4EHTR2CADRB2ADRB1HTR1A
SCHEMBL16896779 0.71 KDM4E (0.54) KDM4EHTR2CHTR2BALDH1A1
SCHEMBL31076261 0.70 KDM4E (0.36) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2017-03-09 — — US disclosed
EP-3107910-A1 NEW PHENYLAZETIDINE, CARBOXYLATE OR CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2016-12-28 — — EP disclosed
WO-2015124868-A1 NEW PHENYLAZETIDINE, CARBOXYLATE OR CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2015-08-27 — — 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-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS NCOR1, NCOR2, NCOA1 KDM4E 517/4885HTR2C 485/4885ADRB2 67/4885

“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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