SCHEMBL4020359

SCHEMBL4020359

Cc1c(F)cccc1[C@H]1[C@@H](C(=O)c2cccc(O)c2)CN(C2CCC(O)CC2)C[C@@H]1c1[c]cccc1O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MC4R P32245 3/20 0.33
MC3R P41968 1/20 0.31
MC1R Q01726 1/20 0.31
KCNH2 Q12809 1/20 0.31
KDM2B Q8NHM5 2/20 0.31

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
SCHEMBL4022565 0.87 L3MBTL1 (0.30)
SCHEMBL4772489 0.86 NPSR1 (0.33)
SCHEMBL4021646 0.86 MC4R (0.36) MC4RMC3RMC1RKCNH2KDM2B
SCHEMBL4021615 0.83 HCRTR2 (0.31)
SCHEMBL4022123 0.82 RORC (0.41) MC4R
SCHEMBL4028221 0.82 KDM2B (0.32) MC4RKDM2B
SCHEMBL4778094 0.82 KDM2B (0.32) KDM2B
SCHEMBL4022033 0.82 KDM2B (0.32) MC4RKDM2B
SCHEMBL4774163 0.81 KDM2B (0.31) KDM2B
SCHEMBL4028913 0.81 MC4R (0.30) MC4RKCNH2

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 MC4R 3874/4885MC3R 3395/4885MC1R 959/4885

“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.