SCHEMBL4027093

SCHEMBL4027093

COCCN1C[CH][C@H](c2cccc(F)c2C)[C@@H](C(=O)C2CCCCC2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.36
MC4R P32245 1/20 0.35
RBP4 P02753 2/20 0.34
ALDH1A1 P00352 4/20 0.34
TSHR P16473 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
F10 P00742 1/20 0.33
ACKR3 P25106 1/20 0.33
SLC6A1 P30531 3/20 0.32
SLC6A11 P48066 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
NTRK1 P04629 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
SCHEMBL4871415 0.86 MC4R (0.39) KDM2BMC4RRBP4ALDH1A1TSHR
SCHEMBL4021429 0.83 MC4R (0.40) KDM2BMC4RRBP4ALDH1A1KDM4E
SCHEMBL4751640 0.81 MC4R (0.41) KDM2BMC4RRBP4ALDH1A1TSHR
SCHEMBL4025458 0.80 NPC1 (0.36) KDM2BMC4RRBP4TDP1KMT2A
SCHEMBL4752007 0.73 MC4R (0.45) MC4RRBP4ALDH1A1TSHRKDM4E
SCHEMBL4815355 0.72 MC4R (0.41) MC4RRBP4ALDH1A1TSHRKDM4E
SCHEMBL4752863 0.72 RAB9A (0.42) MC4RRBP4TDP1
SCHEMBL4752862 0.72 RAB9A (0.42) MC4RRBP4TDP1
SCHEMBL4752864 0.72 RAB9A (0.42) MC4RRBP4TDP1
SCHEMBL4751265 0.72 RAB9A (0.42) MC4RRBP4TDP1

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 2 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 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 KDM2B 3090/4885MC4R 3874/4885RBP4 1415/4885

“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.