SCHEMBL4029258

SCHEMBL4029258

CCOC(=O)[C@H]1CN(CCOC)C[C@H](C(=O)c2ccccc2)[C@@H]1c1cccc(F)c1C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.40
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NTRK1 P04629 5/20 0.36
LTA4H P09960 1/20 0.36
USP30 Q70CQ3 1/20 0.35
NTRK3 Q16288 3/20 0.35
NTRK2 Q16620 3/20 0.35
KDM4E B2RXH2 3/20 0.35
TSHR P16473 3/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
P2RX3 P56373 1/20 0.35

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
SCHEMBL4780053 0.93 MC4R (0.44) MC4RALDH1A1MAPK1MEN1KMT2A
SCHEMBL4019465 0.91 MC4R (0.42) MC4RALDH1A1MAPK1MEN1KMT2A
SCHEMBL4019468 0.91 MC4R (0.42) MC4RALDH1A1MAPK1MEN1KMT2A
SCHEMBL4751807 0.91 MC4R (0.42) MC4RALDH1A1MAPK1MEN1KMT2A
SCHEMBL4026815 0.87 MC4R (0.40) MC4RALDH1A1MEN1KMT2ANTRK1
SCHEMBL4749170 0.87 MC4R (0.40) MC4RMEN1KMT2ANTRK1LTA4H
SCHEMBL4776626 0.85 MC4R (0.44) MC4RALDH1A1MEN1KMT2ANTRK1
SCHEMBL4776650 0.85 MC4R (0.44) MC4RALDH1A1MEN1KMT2ANTRK1
SCHEMBL5636044 0.85 MC4R (0.39) MC4RALDH1A1MEN1KMT2ANTRK1
SCHEMBL4751989 0.84 MC4R (0.38) MC4RALDH1A1MAPK1MEN1KMT2A

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 MC4R 3874/4885ALDH1A1 258/4885MAPK1 4193/4885

“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.