SCHEMBL5075422

SCHEMBL5075422

CCO[C@@H]1C[C@H](C(=O)NC2CCN(c3ccncc3)CC2)N(C(=O)Nc2ccc(Cl)cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.56
TRPV1 Q8NER1 1/20 0.48
NAMPT P43490 4/20 0.41
EPHX2 P34913 1/20 0.39
KIT P10721 2/20 0.38
MAPT P10636 1/20 0.38
CCR1 P32246 1/20 0.37

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
SCHEMBL75996 0.85 TRPV1 (0.53) F10TRPV1NAMPTKITMAPT
SCHEMBL85889 0.78 NAMPT (0.45) F10TRPV1NAMPTEPHX2MAPT
SCHEMBL4101126 0.77 F10 (0.61) F10MAPTCCR1
SCHEMBL75773 0.76 F10 (0.63) F10
SCHEMBL3834606 0.75 F10 (0.62) F10MAPT
SCHEMBL3830301 0.74 F10 (0.63) F10MAPT
SCHEMBL3832169 0.73 F10 (0.62) F10MAPTCCR1
SCHEMBL14286939 0.73 F10 (0.76) F10MAPT
SCHEMBL14286920 0.73 F10 (0.76) F10MAPT
SCHEMBL14286936 0.73 F10 (0.76) F10MAPT

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-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof MERCK PATENT GMBH (DE) 2008-01-03 US claimed
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof MERCK PATENT GMBH (DE) 2008-01-03 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-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB F10 22/4885TRPV1 2174/4885NAMPT 2823/4885

“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.