SCHEMBL3595116

SCHEMBL3595116

COc1ccccc1NC/C=C(\C)CCC=C(C)C

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.46
▸ ALOX5 P09917 3/20 0.44
▸ PTGES O14684 2/20 0.42
▸ CHRM2 P08172 1/20 0.41

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
SCHEMBL3595119 1.00 TRPV1 (0.46) TRPV1ALOX5PTGESCHRM2
SCHEMBL3599814 0.99 ALOX5 (0.45) TRPV1ALOX5PTGES
SCHEMBL3599812 0.99 ALOX5 (0.45) TRPV1ALOX5PTGES
SCHEMBL3607179 0.83 PPARG (0.46) TRPV1PTGES
SCHEMBL3607181 0.83 PPARG (0.46) TRPV1PTGES
SCHEMBL17019976 0.80 TRPV1 (0.48) TRPV1
SCHEMBL15702136 0.79 GGPS1 (0.51) TRPV1ALOX5
SCHEMBL8223338 0.79 PTGES (0.47) TRPV1ALOX5PTGES
SCHEMBL3590181 0.78 PTGES (0.47) TRPV1ALOX5PTGES
SCHEMBL8223345 0.78 PTGES (0.47) TRPV1ALOX5PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041665-A1 N-PHENYL-PRENYLAMINE DERIVATIVES FOR THE TREATMENT OF COGNITIVE, NEURODEGENERATIVE OR NEURONAL DISEASES OR DISORDERS NOSCIRA, S.A. (ES) 2010-02-18 — — US disclosed
EP-2057114-A1 N-PHENYL-PRENYLAMINE DERIVATIVES FOR THE TREATMENT OF COGNITIVE, NEURODEGENERATIVE OR NEURONAL DISEASES OR DISORDERS NOSCIRA, S.A. (ES) 2009-05-13 — — EP disclosed
WO-2008015240-A1 N-PHENYL-PRENYLAMINE DERIVATIVES FOR THE TREATMENT OF COGNITIVE, NEURODEGENERATIVE OR NEURONAL DISEASES OR DISORDERS NOSCIRA, S.A. (ES) 2008-02-07 — — WO 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-20100041665-A1 N-PHENYL-PRENYLAMINE DERIVATIVES FOR THE TREATMENT OF COGNITIVE, NEURODEGENERATIVE OR NEURONAL DISEASES OR DISORDERS PNMT, PSEN1, SNCA TRPV1 1245/4885ALOX5 703/4885PTGES 410/4885

“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.

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