SCHEMBL4019066

SCHEMBL4019066

Cc1c(F)cccc1C1C(C(=O)c2cccc(O)c2)CN(CCN2CCCC2=O)CC1C(=O)c1cccc(O)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RAB9A P51151 2/20 0.36
GAA P10253 1/20 0.36
ADRA1B P35368 2/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
KCNH2 Q12809 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CNR2 P34972 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
SCHEMBL4019055 1.00 POLB (0.38) POLBALDH1A1SMN1; SMN2RAB9AGAA
SCHEMBL4022196 0.95 POLB (0.37) POLBALDH1A1SMN1; SMN2RAB9AGAA
SCHEMBL4022190 0.95 POLB (0.37) POLBALDH1A1SMN1; SMN2RAB9AGAA
SCHEMBL4026553 0.89 POLB (0.43) POLBALDH1A1KMT2ANPC1DRD2
SCHEMBL4026555 0.89 POLB (0.43) POLBALDH1A1KMT2ANPC1DRD2
SCHEMBL4020998 0.88 DRD2 (0.39) DRD2DRD3KCNH2
SCHEMBL4021011 0.88 DRD2 (0.39) DRD2DRD3KCNH2
SCHEMBL4021939 0.86 KCNH2 (0.39) KCNH2
SCHEMBL4021943 0.86 KCNH2 (0.39) KCNH2
SCHEMBL4774984 0.85 KDM2B (0.35)

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 POLB 655/4885ALDH1A1 258/4885SMN1; SMN2 3134/4885

“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.