SCHEMBL1927359

SCHEMBL1927359

CCCCOC(=O)NCCc1nc(-c2ccc(C(C)(C)C)cc2)c[nH]1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.39
TRPV1 Q8NER1 2/20 0.39
HRH4 Q9H3N8 3/20 0.37
HRH3 Q9Y5N1 3/20 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
SCHEMBL1929489 0.91 PPARG (0.40) ACHE
SCHEMBL1928648 0.90 PPARG (0.39) ACHETRPV1
SCHEMBL1927950 0.88 MGLL (0.43) ACHETRPV1HRH4HRH3
SCHEMBL1927762 0.88 ACHE (0.41) ACHETRPV1HRH4HRH3
SCHEMBL1926868 0.88 HRH4 (0.42) ACHETRPV1HRH4HRH3
SCHEMBL1926152 0.88 ACHE (0.41) ACHETRPV1
SCHEMBL1927358 0.88 HRH4 (0.44) ACHETRPV1HRH4HRH3
SCHEMBL1929310 0.88 HRH3 (0.42) ACHETRPV1HRH3
SCHEMBL1929712 0.88 LMNA (0.41) ACHETRPV1HRH4HRH3
SCHEMBL1927361 0.87 ACHE (0.40) ACHETRPV1HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146627-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments LASSAUNIERE PIERRE-ETIENNE CHA 2008-06-19 US claimed
US-20050038087-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments IPSEN PHARMA S.A.S. (FR) 2005-02-17 US claimed
US-20040132788-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-07-08 US claimed
US-8288560-B2 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments IPSEN PHARMA S.A.S. (FR) 2012-10-16 US disclosed
US-20110172434-A1 DERIVATIVES OF HETEROCYCLES WITH 5 MEMBERS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS IPSEN PHARMA S.A.S. (FR) 2011-07-14 US disclosed
US-7956075-B2 Thiazole, oxazole, imidazole, isoxazole and isoxazoline derivatives, e.g., butyl 2-(4-[1,1'-biphenyl]-4-yl-1H-imidazol-2-yl)ethylcarbamate inhibit lipidic peroxidation and monoamine oxidase and modulate sodium channels and are used for treating neurodegenerative disorders or pain. IPSEN PHARMA S.A.S. (FR) 2011-06-07 US disclosed
US-20080146627-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments LASSAUNIERE PIERRE-ETIENNE CHA 2008-06-19 US disclosed
US-7291641-B2 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2007-11-06 US disclosed
US-20070179153-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S) 2007-08-02 US disclosed
US-20070021390-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments SCRAS 2007-01-25 US disclosed
US-20050038087-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments IPSEN PHARMA S.A.S. (FR) 2005-02-17 US disclosed
US-20040132788-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-07-08 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 (6 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-20070021390-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments PARK7, SNCA, COMT ACHE 12/4885TRPV1 2998/4885HRH4 666/4885
US-20070179153-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments PARK7, SNCA, SDHA ACHE 7/4885TRPV1 2293/4885HRH4 609/4885
US-20050038087-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OXER1, OPRL1, OPRK1 ACHE 658/4885TRPV1 321/4885HRH4 19/4885
US-20040132788-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OPRK1, HCN1, P2RX7 ACHE 475/4885TRPV1 121/4885HRH4 25/4885
US-20110172434-A1 DERIVATIVES OF HETEROCYCLES WITH 5 MEMBERS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS OXER1, OPRL1, CHRNA7 ACHE 401/4885TRPV1 268/4885HRH4 13/4885
US-20080146627-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OXER1, OPRL1, P2RX7 ACHE 300/4885TRPV1 273/4885HRH4 10/4885

“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.