SCHEMBL4028155

SCHEMBL4028155

Cc1c(F)cccc1[C@H]1[C@@H](C(=O)c2cccc(O)c2)CN(CCO)C[C@@H]1C(=O)c1ccccc1F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
KDM2B Q8NHM5 2/20 0.33
ESRRG P62508 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
SLC6A1 P30531 2/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
MGLL Q99685 2/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31

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
SCHEMBL4020633 0.94 MEN1 (0.35) KMT2AMEN1KDM2BESRRGOPRM1
SCHEMBL4019668 0.94 HRH2 (0.34) KMT2AMEN1TAS1R3TAS1R1TAS1R2
SCHEMBL4024566 0.92 EED (0.33) KMT2AMEN1TAS1R3TAS1R1TAS1R2
SCHEMBL4029269 0.92 KDM2B (0.35) KMT2AMEN1TAS1R3TAS1R1TAS1R2
SCHEMBL4751303 0.91 KDM2B (0.33) KMT2AMEN1KDM2BESRRGKDM4E
SCHEMBL4022598 0.90 MEN1 (0.35) KMT2AMEN1TAS1R3TAS1R1TAS1R2
SCHEMBL4022304 0.90 TAS1R3 (0.39) KMT2AMEN1TAS1R3TAS1R1TAS1R2
SCHEMBL4749341 0.89 KIF11 (0.35) KDM4EALDH1A1
SCHEMBL4749343 0.89 KIF11 (0.35) KDM4EALDH1A1
SCHEMBL4025770 0.87 KDM2B (0.41) KMT2AMEN1KDM2BALDH1A1HTT

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 KMT2A 2820/4885MEN1 77/4885TAS1R3 4713/4885

“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.