SCHEMBL4020496

SCHEMBL4020496

COC(=O)NCCN1C[C@H](C(=O)c2cccc(O)c2)C(c2cccc(F)c2C)[C@@H](C(=O)c2cccc(O)c2)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.34
ADRA1B P35368 1/20 0.34
BCHE P06276 2/20 0.33
CCR3 P51677 1/20 0.33
HTR1A P08908 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM2B Q8NHM5 4/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
BCL3 P20749 1/20 0.32

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
SCHEMBL4025235 0.91 OPRM1 (0.35) DRD4CCR3HTR1AKDM4EHSD17B10
SCHEMBL4025226 0.91 OPRM1 (0.35) DRD4CCR3HTR1AKDM4EHSD17B10
SCHEMBL4029451 0.89 CARM1 (0.37) KDM2B
SCHEMBL4026512 0.87 NPC1 (0.41) KDM2B
SCHEMBL4021154 0.86 KDM4E (0.34) KDM4ECYP1A2MAPTCYP2C9KDM2B
SCHEMBL13721491 0.86 KDM4E (0.34) KDM4ECYP1A2MAPTCYP2C9KDM2B
SCHEMBL4024718 0.86 KDM4E (0.34) KDM4ECYP1A2MAPTCYP2C9KDM2B
SCHEMBL4020633 0.86 MEN1 (0.35) MAPK1KDM2B
SCHEMBL13720775 0.86 MEN1 (0.35) KDM4EALDH1A1MAPK1KDM2B
SCHEMBL4024540 0.86 MEN1 (0.35) KDM4EALDH1A1MAPK1KDM2B

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-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 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 DRD4 2983/4885ADRA1B 4417/4885BCHE 1682/4885

“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.