SCHEMBL1928985

SCHEMBL1928985

CC(C)(C)C(NC(=O)O)c1nc(-c2ccccc2)c[nH]1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
ADORA1 P30542 6/20 0.39
ADORA3 P0DMS8 2/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ALDH1A1 P00352 2/20 0.36
PDE2A O00408 5/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.34
TACR3 P29371 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
SCHEMBL11886648 0.86 SSTR3 (0.43) ALDH1A1MAPT
SCHEMBL15113709 0.83 MME (0.38) CNR1CNR2ADORA1
SCHEMBL15106086 0.82 JAK2 (0.31)
SCHEMBL20221405 0.82 KEAP1 (0.36) CNR1CNR2ALDH1A1PDE2AKDM4E
SCHEMBL20054469 0.82 CNR1 (0.35) CNR1CNR2ADORA1PDE2ATACR3
SCHEMBL15114300 0.82 CNR1 (0.35) CNR1CNR2ADORA1PDE2ATACR3
SCHEMBL20054353 0.82 CNR1 (0.35) CNR1CNR2ADORA1PDE2ATACR3
SCHEMBL15114299 0.82 CNR1 (0.35) CNR1CNR2ADORA1PDE2ATACR3
SCHEMBL20054354 0.82 CNR1 (0.35) CNR1CNR2ADORA1PDE2ATACR3
SCHEMBL21245238 0.82 ADORA1 (0.43) ADORA1ADORA3ADORA2AADORA2BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1305294-B1 IMIDAZOLYL DERIVATIVES SOD CONSEILS RECH APPLIC (FR) 2007-04-25 EP claimed
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 CNR1 400/4885CNR2 339/4885ADORA1 424/4885
US-20070179153-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments PARK7, SNCA, SDHA CNR1 432/4885CNR2 350/4885ADORA1 819/4885
US-20110172434-A1 DERIVATIVES OF HETEROCYCLES WITH 5 MEMBERS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS OXER1, OPRL1, CHRNA7 CNR1 17/4885CNR2 27/4885ADORA1 528/4885

“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.