SCHEMBL4407571

SCHEMBL4407571

Cc1nc(/C=C/c2c(-c3ccc(F)cc3)nnn2C)sc1C(=O)NC1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 13/20 1.00
CSNK1D P48730 3/20 0.40
CSNK1E P49674 3/20 0.40
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
CHRM4 P08173 1/20 0.36
TSHR P16473 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
SCHEMBL10074897 0.93 GABRA5 (0.87) GABRA5PPARDPPARAALDH1A1LMNA
SCHEMBL4410068 0.84 GABRA5 (1.00) GABRA5ALDH1A1LMNAHTT
SCHEMBL4402982 0.83 GABRA5 (1.00) GABRA5PPARDPPARACHRM4
SCHEMBL2683793 0.82 GABRA5 (1.00) GABRA5CSNK1DCSNK1EALDH1A1
SCHEMBL2683802 0.82 GABRA5 (1.00) GABRA5CSNK1DCSNK1EALDH1A1
SCHEMBL2683796 0.82 GABRA5 (0.75) GABRA5PPARAALDH1A1LMNATSHR
SCHEMBL2685279 0.81 GABRA5 (0.77) GABRA5CSNK1DALDH1A1
SCHEMBL2685284 0.81 GABRA5 (0.77) GABRA5CSNK1DALDH1A1
SCHEMBL2689988 0.79 GABRA5 (0.65) GABRA5
SCHEMBL2689993 0.79 GABRA5 (0.65) GABRA5

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
EP-2638035-B1 Triazole derivatives as ligands for Gaba receptors HOFFMANN LA ROCHE (CH) 2014-12-17 EP disclosed
US-20120115868-A1 NOVEL TRIAZOLE COMPOUNDS II ROCHE PALO ALTO LLC 2012-05-10 US disclosed
US-20120115868-A1 NOVEL TRIAZOLE COMPOUNDS II ROCHE PALO ALTO LLC 2012-05-10 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 (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-20120115868-A1 NOVEL TRIAZOLE COMPOUNDS II GABRA5, GABRA1, GABRA3 GABRA5 1/4885CSNK1D 809/4885CSNK1E 932/4885

“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.