SCHEMBL2375763

SCHEMBL2375763

O=C(O)C(CN1CCCCC1)N(Cc1ccc(-c2ccccn2)cc1)C(=O)/C=C/c1ccc(C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.39
TRPV1 Q8NER1 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
KCNH2 Q12809 1/20 0.37
HDAC1 Q13547 1/20 0.36
CHRM1 P11229 1/20 0.36
HTR2A P28223 1/20 0.36
MCHR1 Q99705 1/20 0.36
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
CHRNA7 P36544 1/20 0.35
TRPM8 Q7Z2W7 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ABCB1 P08183 1/20 0.35
OPRM1 P35372 1/20 0.35
MTTP P55157 1/20 0.34
NPY2R P49146 1/20 0.34

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
SCHEMBL2375767 1.00 OPRK1 (0.39) OPRK1TRPV1HRH3KCNH2HDAC1
SCHEMBL2376137 0.99 OPRK1 (0.40) OPRK1TRPV1HRH3KCNH2HDAC1
SCHEMBL2376134 0.99 OPRK1 (0.40) OPRK1TRPV1HRH3KCNH2HDAC1
SCHEMBL2376579 0.92 TRPV1 (0.37) OPRK1TRPV1HDAC1HTR2AABL1
SCHEMBL2376581 0.92 TRPV1 (0.37) OPRK1TRPV1HDAC1HTR2AABL1
SCHEMBL2374375 0.91 NOS3 (0.40) OPRK1TRPV1HRH3KCNH2HDAC1
SCHEMBL2374379 0.91 NOS3 (0.40) OPRK1TRPV1HRH3KCNH2HDAC1
SCHEMBL2374202 0.90 NOS3 (0.40) OPRK1TRPV1HRH3KCNH2HDAC1
SCHEMBL2374204 0.90 NOS3 (0.40) OPRK1TRPV1HRH3KCNH2HDAC1
SCHEMBL2375324 0.89 TRPV1 (0.40) TRPV1HDAC1HTR2ATRPM8

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-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-15 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-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS CTSA, BECN1, HDAC6 OPRK1 4074/4885TRPV1 2628/4885HRH3 302/4885

“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.