SCHEMBL4019458

SCHEMBL4019458

Cc1c(F)cccc1[C@H]1[C@@H](C(=O)c2cccc(O)c2)CN(CCCCCO)C[C@@H]1C(=O)N1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.35
DPP8 Q6V1X1 2/20 0.35
ESRRG P62508 6/20 0.34
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
MC4R P32245 2/20 0.33
MC5R P33032 1/20 0.33
MC1R Q01726 1/20 0.33
HTR1A P08908 5/20 0.32
DRD2 P14416 5/20 0.32
DRD1 P21728 5/20 0.32
DRD4 P21917 5/20 0.32
DRD5 P21918 5/20 0.32
DRD3 P35462 5/20 0.32
ESRRB O95718 1/20 0.32

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
SCHEMBL4018665 0.94 DPP4 (0.37) DPP4DPP8ESRRGKDM4EPKM
SCHEMBL4020144 0.93 DPP4 (0.38) DPP4DPP8KDM4EPKMTSHR
SCHEMBL4778298 0.90 MC4R (0.35) DPP4DPP8KDM4EPKMTSHR
SCHEMBL4028039 0.89 DPP4 (0.36) DPP4DPP8KDM4EPKMTSHR
SCHEMBL4751290 0.88 ESRRG (0.34) ESRRGHTR1ADRD2DRD1DRD4
SCHEMBL4022700 0.86 DPP4 (0.34) DPP4DPP8KDM4EPKMTSHR
SCHEMBL4025128 0.86 HRH3 (0.33) DPP4DPP8KDM4EPKMTSHR
SCHEMBL4027949 0.85 KDM2B (0.34) MAPTMC4R
SCHEMBL4028057 0.85 ALDH1A1 (0.37) DPP4DPP8KDM4EPKMTSHR
SCHEMBL4028055 0.85 ALDH1A1 (0.37) DPP4DPP8KDM4EPKMTSHR

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
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 DPP4 4285/4885DPP8 3973/4885ESRRG 834/4885

“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.