SCHEMBL4022016

SCHEMBL4022016

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
MGLL Q99685 7/20 0.35
HPGD P15428 1/20 0.34
MC4R P32245 3/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
KCNH2 Q12809 1/20 0.33
PRCP P42785 1/20 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
SCHEMBL4749437 0.89 SLC2A1 (0.36) MGLLKDM4E
SCHEMBL4751656 0.89 SLC2A1 (0.36) MGLLKDM4E
SCHEMBL4749450 0.89 SLC2A1 (0.36) MGLLKDM4E
SCHEMBL4028055 0.86 ALDH1A1 (0.37) ALDH1A1MAPTMGLLHPGDMC4R
SCHEMBL4028057 0.86 ALDH1A1 (0.37) ALDH1A1MAPTMGLLHPGDMC4R
SCHEMBL4020382 0.83 SCN9A (0.33) MGLL
SCHEMBL4021833 0.83 DPP4 (0.36) ALDH1A1MAPTMGLLHPGDKDM4E
SCHEMBL4018665 0.83 DPP4 (0.37) ALDH1A1MAPTMGLLHPGDMC4R
SCHEMBL4018846 0.83 MGLL (0.36) ALDH1A1MGLLMC4RKCNH2
SCHEMBL4020144 0.82 DPP4 (0.38) ALDH1A1MAPTMGLLMC4RKDM4E

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 6 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
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP disclosed
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 US disclosed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO 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 258/4885MAPT 3009/4885MGLL 2929/4885

“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.