SCHEMBL4027221

SCHEMBL4027221

O=C(c1cccc(O)c1)[C@H]1CN(CCO)C[C@H](C(=O)c2cccc(O)c2)C1c1cccc(Cl)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.38
DRD3 P35462 1/20 0.38
MGLL Q99685 7/20 0.37
KDM2B Q8NHM5 4/20 0.35
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL4022053 0.89 MGLL (0.36) MGLLKDM2BMEN1KMT2A
SCHEMBL4022073 0.82 MEN1 (0.36) MGLLKDM2BMEN1KMT2A
SCHEMBL4020633 0.81 MEN1 (0.35) MGLLKDM2BMEN1KMT2A
SCHEMBL4027068 0.81 GRIN1 (0.35) MGLLKDM2B
SCHEMBL4022598 0.81 MEN1 (0.35) MGLLKDM2BMEN1KMT2AKDM4E
SCHEMBL4022193 0.81 DRD2 (0.37) DRD2DRD3KDM4E
SCHEMBL4751303 0.78 KDM2B (0.33) MGLLKDM2BMEN1KMT2AKDM4E
SCHEMBL4028155 0.76 KMT2A (0.34) MGLLKDM2BMEN1KMT2AKDM4E
SCHEMBL4019668 0.76 HRH2 (0.34) MGLLKDM2BMEN1KMT2A
SCHEMBL4022878 0.75 DRD4 (0.49) DRD2DRD3KDM2BMEN1KMT2A

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
US-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US claimed
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP claimed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO claimed
US-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US disclosed
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP disclosed
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 US disclosed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 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-20070161674-A1 Certain chemical entities, compositions, and methods TP53, VHL, RB1 DRD2 3430/4885DRD3 3202/4885MGLL 2929/4885

“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.