SCHEMBL4023928

SCHEMBL4023928

COc1cccc(C(=O)[C@H]2CN(CCN3CCNC3=O)C[C@H](C(=O)c3cccc(OC)c3)C2c2cccc(F)c2C)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.42
KDM2B Q8NHM5 3/20 0.41
HPGDS O60760 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
KCNH2 Q12809 2/20 0.37
KDM4E B2RXH2 1/20 0.37
OPRM1 P35372 1/20 0.37
GPR6 P46095 1/20 0.37

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
SCHEMBL4027359 1.00 HTR2A (0.42) HTR2AKDM2BHPGDSCYP2C9CYP2C19
SCHEMBL4021943 0.89 KCNH2 (0.39) KCNH2
SCHEMBL4021939 0.89 KCNH2 (0.39) KCNH2
SCHEMBL4022593 0.87 CYP2C9 (0.52) KDM2BCYP2C9CYP2C19MEN1KMT2A
SCHEMBL4026553 0.87 POLB (0.43) KDM2BMEN1KMT2ANPSR1L3MBTL1
SCHEMBL4026555 0.87 POLB (0.43) KDM2BMEN1KMT2ANPSR1L3MBTL1
SCHEMBL4021398 0.85 KDM2B (0.45) KDM2BMEN1KMT2ANPSR1L3MBTL1
SCHEMBL4024597 0.85 KDM2B (0.45) KDM2BMEN1KMT2ANPSR1L3MBTL1
SCHEMBL4029178 0.83 KDM2B (0.43) KDM2BMEN1KMT2ANPSR1L3MBTL1
SCHEMBL4022832 0.83 KDM2B (0.43) KDM2BMEN1KMT2ANPSR1L3MBTL1

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 4 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
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 US claimed
US-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US disclosed
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 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 (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 HTR2A 4141/4885KDM2B 3090/4885HPGDS 17/4885

“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.