SCHEMBL4021895

SCHEMBL4021895

CCOC(=O)C1CCCN(C(=O)[C@@H]2CN(CCN(C)S(C)(=O)=O)C[C@H](C(=O)c3cccc(O)c3)[C@H]2c2cccc(F)c2C)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 3/20 0.41
KDM4E B2RXH2 2/20 0.41
PKM P14618 1/20 0.39
ALDH1A1 P00352 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 3/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4021894 1.00 GAA (0.41) GAAKMT2ATSHRKDM4EPKM
SCHEMBL4028041 0.85 OPRM1 (0.35) KMT2AMAPK1
SCHEMBL13721487 0.85 OPRM1 (0.35) KMT2AMAPK1
SCHEMBL4028045 0.85 OPRM1 (0.35) KMT2AMAPK1
SCHEMBL4019629 0.84 ALDH1A1 (0.36) GAATSHRALDH1A1RAB9A
SCHEMBL4027055 0.84 ALDH1A1 (0.36) GAATSHRALDH1A1RAB9A
SCHEMBL4752899 0.83 GYS1 (0.34)
SCHEMBL4752900 0.83 GYS1 (0.34)
SCHEMBL4772539 0.83 OPRM1 (0.34) KMT2AMAPK1
SCHEMBL4751548 0.83 OPRM1 (0.34) KMT2AMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GAA 350/4885KMT2A 2820/4885TSHR 4351/4885

“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.