SCHEMBL15440980

SCHEMBL15440980

FCc1cccc(-c2ccc(-c3cn([C@H]4CN5CCC4CC5)nn3)s2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.64
CHRNB2 P17787 1/20 0.64
CHRNA4 P43681 1/20 0.64

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
SCHEMBL15440982 1.00 HTR3A (0.64) HTR3ACHRNB2CHRNA4
SCHEMBL15441283 0.90
SCHEMBL15447971 0.90
SCHEMBL15441350 0.90 HTR3A (0.74) HTR3ACHRNB2CHRNA4
SCHEMBL15441351 0.90 HTR3A (0.74) HTR3ACHRNB2CHRNA4
SCHEMBL13733192 0.86 HTR3A (0.71) HTR3ACHRNB2CHRNA4
SCHEMBL15441263 0.86 HTR3A (0.71) HTR3ACHRNB2CHRNA4
SCHEMBL13731607 0.85 CHRNB2 (0.68) HTR3ACHRNB2CHRNA4
SCHEMBL13731605 0.85 CHRNB2 (0.68) HTR3ACHRNB2CHRNA4
SCHEMBL15441031 0.81 CHRNB2 (0.74) HTR3ACHRNB2CHRNA4

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
US-10059704-B2 1,4-disubstituted 1,2,3-triazoles, methods for preparing same, and diagnostic and therapeutic uses thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2018-08-28 US disclosed
EP-2699570-B1 1,4-DISUBSTITUTED 1,2,3-TRIAZOLES, THEIR PREPARATION PROCESSES AND THEIR DIAGNOSTIC AND THERAPEUTIC USES CENTRE NAT RECH SCIENT (FR) 2018-08-22 EP disclosed
US-20140030191-A1 1,4-DISUBSTITUTED 1,2,3-TRIAZOLES, METHODS FOR PREPARING SAME, AND DIAGNOSTIC AND THERAPEUTIC USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2014-01-30 US disclosed
US-20140030191-A1 1,4-DISUBSTITUTED 1,2,3-TRIAZOLES, METHODS FOR PREPARING SAME, AND DIAGNOSTIC AND THERAPEUTIC USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2014-01-30 US disclosed
US-20140030191-A1 1,4-DISUBSTITUTED 1,2,3-TRIAZOLES, METHODS FOR PREPARING SAME, AND DIAGNOSTIC AND THERAPEUTIC USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2014-01-30 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 (2 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-20140030191-A1 1,4-DISUBSTITUTED 1,2,3-TRIAZOLES, METHODS FOR PREPARING SAME, AND DIAGNOSTIC AND THERAPEUTIC USES THEREOF CYP3A43, NAT1, UGT1A1 HTR3A 206/4885CHRNB2 1237/4885CHRNA4 1279/4885
US-10059704-B2 1,4-disubstituted 1,2,3-triazoles, methods for preparing same, and diagnostic and therapeutic uses thereof CYP3A43, NAT1, UGT1A1 HTR3A 206/4885CHRNB2 1237/4885CHRNA4 1279/4885

“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.