SCHEMBL14218538

SCHEMBL14218538

CCN(C)C(=O)c1ccc(C(F)(F)F)cc1-c1ccc(OC)c(CO)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.45
PTGDR2 Q9Y5Y4 11/20 0.44
MCHR1 Q99705 1/20 0.41
TACR1 P25103 1/20 0.40
TBXA2R P21731 1/20 0.39
PTGDR Q13258 1/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
CETP P11597 2/20 0.38
PDE4B Q07343 1/20 0.38
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 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
SCHEMBL41599 0.89 SCN9A (0.47) SCN9APTGDR2MCHR1TACR1TBXA2R
SCHEMBL9145008 0.81 PDE4B (0.43) SCN9APTGDR2MCHR1PDE4B
SCHEMBL6061977 0.79 PDE4B (0.58) SCN9APTGDR2MCHR1TBXA2RPTGDR
SCHEMBL3694425 0.74 CETP (0.43) SCN9APTGDR2MCHR1TACR1TBXA2R
SCHEMBL30002156 0.74 HDAC3 (0.49) PTGDR2CETPPDE4BPPARDPPARA
SCHEMBL4064597 0.74 HDAC3 (0.49) PTGDR2CETPPDE4BPPARDPPARA
SCHEMBL9147697 0.72 PDE4B (0.43) SCN9APTGDR2MCHR1TACR1PDE4B
SCHEMBL8997635 0.71 HTT (0.51) PTGDR2
SCHEMBL1395234 0.71 KDM4E (0.51) PTGDR2AKR1C3AKR1C2
SCHEMBL9145484 0.71 PDE4B (0.53) SCN9APTGDR2MCHR1TBXA2RPTGDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080103144-A1 Fungicidal mixtures based on amide compounds and morpholine or piperidine derivatives SCHELBERGER KLAUS 2008-05-01 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-20080103144-A1 Fungicidal mixtures based on amide compounds and morpholine or piperidine derivatives OPRM1, SIGMAR1, CYP3A4 SCN9A 543/4885PTGDR2 1150/4885MCHR1 320/4885

“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.