SCHEMBL4022836

SCHEMBL4022836

Cc1c(F)cccc1[C@H]1[C@@H](C(=O)c2cccc(O)c2)CN(CCN(C)C)C[C@@H]1C(=O)N1CCC[C@@H]1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.35
SCN9A Q15858 2/20 0.32
KDM2B Q8NHM5 6/20 0.32
TACR1 P25103 1/20 0.31
MELK Q14680 1/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
MGLL Q99685 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SLC6A5 Q9Y345 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
SCHEMBL4022533 1.00 BCHE (0.35) BCHESCN9AKDM2BTACR1MELK
SCHEMBL4028513 1.00 BCHE (0.35) BCHESCN9AKDM2BTACR1MELK
SCHEMBL13721158 1.00 BCHE (0.35) BCHESCN9AKDM2BTACR1MELK
SCHEMBL4028516 1.00 BCHE (0.35) BCHESCN9AKDM2BTACR1MELK
SCHEMBL4028507 1.00 BCHE (0.35) BCHESCN9AKDM2BTACR1MELK
SCHEMBL4752003 0.96 BCHE (0.34) BCHESCN9AKDM2BTACR1MEN1
SCHEMBL4752006 0.96 BCHE (0.34) BCHESCN9AKDM2BTACR1MEN1
SCHEMBL4019044 0.96 BCHE (0.34) BCHESCN9AKDM2BTACR1MEN1
SCHEMBL4021872 0.93 BCHE (0.31) BCHESCN9AKDM2BTACR1
SCHEMBL4022158 0.93 BCHE (0.31) BCHESCN9AKDM2BTACR1

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-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 BCHE 1682/4885SCN9A 4848/4885KDM2B 3090/4885

“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.