SCHEMBL4029040

SCHEMBL4029040

Cc1c(F)cccc1C1[C@@H](C(=O)c2cccc(O)c2)CN(CCCCCN)C[C@@H]1C(=O)c1cccc(O)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.35
HTR1A P08908 6/20 0.35
DRD1 P21728 6/20 0.35
DRD4 P21917 6/20 0.35
DRD5 P21918 6/20 0.35
DRD2 P14416 5/20 0.35
KIF11 P52732 1/20 0.35
KDM2B Q8NHM5 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ESR1 P03372 2/20 0.33

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
SCHEMBL4028191 0.99 KIF11 (0.35) DRD3HTR1ADRD1DRD4DRD5
SCHEMBL4751597 0.97 DRD3 (0.33) DRD3HTR1ADRD1DRD4DRD5
SCHEMBL4749199 0.97 MEN1 (0.34) DRD3HTR1ADRD1DRD4DRD5
SCHEMBL4748997 0.97 MEN1 (0.34) DRD3HTR1ADRD1DRD4DRD5
SCHEMBL4752024 0.96 KIF11 (0.34) DRD3HTR1ADRD1DRD4DRD5
SCHEMBL4752015 0.96 KIF11 (0.34) DRD3HTR1ADRD1DRD4DRD5
SCHEMBL4751349 0.94 KDM2B (0.33) DRD3HTR1ADRD1DRD4DRD5
SCHEMBL4751355 0.94 KDM2B (0.33) DRD3HTR1ADRD1DRD4DRD5
SCHEMBL13720775 0.93 MEN1 (0.35) KIF11KDM2BMEN1KMT2A
SCHEMBL4024525 0.93 MEN1 (0.35) KIF11KDM2BMEN1KMT2A

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 5 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
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP claimed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO 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 DRD3 3202/4885HTR1A 4257/4885DRD1 4077/4885

“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.