SCHEMBL4293137

SCHEMBL4293137

O=C(O)[C@@H]1CNC(=O)N1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 1/20 0.45
GRM6 O15303 1/20 0.43
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
ACE P12821 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR5 Q9H228 1/20 0.42
CYP2C19 P33261 3/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
BRD4 O60885 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
AGTR2 P50052 1/20 0.40
CYP2C9 P11712 2/20 0.40

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
SCHEMBL289494 0.84 GRM2 (0.46) GSK3AGSK3BS1PR1S1PR5CYP2C19
SCHEMBL7672121 0.80 MMP2 (0.48) S1PR5KMT2AMEN1MMP2MMP9
SCHEMBL18389129 0.79 GLA (0.50) CYP2C19KMT2AMMP2MMP9CYP2C9
SCHEMBL6283964 0.78 ITGB1 (0.44) EHMT2GSK3AGSK3BCYP2C19CYP3A4
SCHEMBL2535132 0.77 EHMT2 (0.47) EHMT2GRM6ACES1PR1S1PR5
SCHEMBL6828413 0.77 EHMT2 (0.47) EHMT2GSK3AGSK3BCYP2C19CYP3A4
SCHEMBL2535135 0.77 EHMT2 (0.47) EHMT2GRM6ACES1PR1S1PR5
SCHEMBL8293421 0.75 EHMT2 (0.46) EHMT2GSK3AGSK3BCYP2C19CYP3A4
SCHEMBL13986107 0.75 EHMT2 (0.46) EHMT2GSK3AGSK3BKMT2AMEN1
SCHEMBL873281 0.75 HTR2C (0.52) CYP2C19KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7910590-B2 Cyclic amine bace-1 inhibitors having a heterocyclic substituent SCHERING CORPORATION (US) 2011-03-22 US disclosed
US-7910590-B2 Cyclic amine bace-1 inhibitors having a heterocyclic substituent SCHERING CORPORATION (US) 2011-03-22 US disclosed
US-20090312341-A1 CYCLIC AMINE BACE-1 INHIBITORS HAVING A HETEROCYCLIC SUBSTITUENT SCHERING CORPORATION 2009-12-17 US disclosed
US-20090312341-A1 CYCLIC AMINE BACE-1 INHIBITORS HAVING A HETEROCYCLIC SUBSTITUENT SCHERING CORPORATION 2009-12-17 US disclosed
US-7598250-B2 Cyclic amine BACE-1 inhibitors having a heterocyclic substituent SCHERING CORPORATION (US) 2009-10-06 US disclosed
US-7598250-B2 Cyclic amine BACE-1 inhibitors having a heterocyclic substituent SCHERING CORPORATION (US) 2009-10-06 US disclosed
WO-2009038412-A2 BETA-SECRETASE INHIBITING COMPOUNDS LG LIFE SCIENCES, LTD. (KR) 2009-03-26 WO disclosed
EP-0095163-A2 2-Oxo-imidazolidine compounds, a process for preparing the same and a pharmaceutical composition Tanabe Seiyaku Co., Ltd. (JP) 1983-11-30 EP disclosed
EP-0052696-A1 Novel 2-oxoimidazolidine derivative, a process for preparing same and a pharmaceutical composition containing the 2-oxoimidazolidine derivative Tanabe Seiyaku Co., Ltd. (JP) 1982-06-02 EP 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-20090312341-A1 CYCLIC AMINE BACE-1 INHIBITORS HAVING A HETEROCYCLIC SUBSTITUENT BACE1, BACE2, PSEN1 EHMT2 3737/4885GRM6 3414/4885GSK3A 942/4885

“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.