SCHEMBL3597724

SCHEMBL3597724

CCC(C)Oc1ccc(C(=O)OC)cc1NC/C=C(\C)CC/C=C(\C)CCC=C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.39
▸ PTGES O14684 3/20 0.39
▸ APP P05067 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ FNTA P49354 2/20 0.38
▸ PGGT1B P53609 2/20 0.38
▸ CREBBP Q92793 1/20 0.37
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC2 Q92769 2/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36

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
SCHEMBL3597726 1.00 TRPV1 (0.39) TRPV1PTGESAPPKDM4EALDH1A1
SCHEMBL3590181 0.87 PTGES (0.47) TRPV1PTGESAPPHDAC1HDAC2
SCHEMBL8223345 0.87 PTGES (0.47) TRPV1PTGESAPPHDAC1HDAC2
SCHEMBL3609256 0.87 PTGES (0.47) TRPV1PTGESAPPHDAC1HDAC2
SCHEMBL8223338 0.85 PTGES (0.47) TRPV1PTGESAPPHDAC1HDAC2
SCHEMBL8223744 0.84 CREBBP (0.42) TRPV1PTGESAPPCREBBPHDAC1
SCHEMBL8214969 0.83 PTGES (0.42) TRPV1PTGESAPPCREBBPHDAC1
SCHEMBL8222242 0.81 ACHE (0.47) TRPV1PTGESAPPHDAC1HDAC2
SCHEMBL8215224 0.80 TRPV1 (0.45) TRPV1PTGESAPPHDAC1HDAC2
SCHEMBL8222381 0.78 PTGES (0.47) TRPV1PTGESHDAC1HDAC2HDAC3

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 6 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
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
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
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 1245/4885PTGES 410/4885APP 6/4885

“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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