SCHEMBL4022948

SCHEMBL4022948

Cc1cccc(C2[C@@H](C(=O)c3cccc(F)c3)CN(CC(=O)N(C)C)C[C@@H]2C(=O)c2cccc(F)c2)c1C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
GRIN2B Q13224 8/20 0.38
IDH1 O75874 3/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.34
GRIN1 Q05586 1/20 0.34

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
SCHEMBL4022953 1.00 ALDH1A1 (0.39) ALDH1A1GAAGRIN2BIDH1LMNA
SCHEMBL4020347 0.88 KIF11 (0.37) ALDH1A1GRIN2BLMNAMEN1KMT2A
SCHEMBL4024526 0.88 KIF11 (0.37) ALDH1A1GRIN2BLMNAMEN1KMT2A
SCHEMBL4020344 0.88 KIF11 (0.37) ALDH1A1GRIN2BLMNAMEN1KMT2A
SCHEMBL4021692 0.87 ALDH1A1 (0.38) ALDH1A1GAALMNATSHRMEN1
SCHEMBL4021978 0.87 MEN1 (0.42) ALDH1A1GAAGRIN2BLMNATSHR
SCHEMBL4021974 0.87 MEN1 (0.42) ALDH1A1GAAGRIN2BLMNATSHR
SCHEMBL4026452 0.85 ALDH1A1 (0.40) ALDH1A1GAAGRIN2BLMNATSHR
SCHEMBL4776569 0.84 KIF11 (0.39) GRIN2BMEN1KMT2A
SCHEMBL4776575 0.84 KIF11 (0.39) GRIN2BMEN1KMT2A

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 ALDH1A1 258/4885GAA 350/4885GRIN2B 4170/4885

“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.