SCHEMBL17790284

SCHEMBL17790284

CC(C)(C)OC(=O)n1c(-c2c(F)cccc2F)c(F)c2cnccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.39
▸ SCN9A Q15858 4/20 0.38
▸ SCN5A Q14524 1/20 0.37
▸ GPR119 Q8TDV5 4/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP3A5 P20815 1/20 0.36
▸ GABRG2 P18507 2/20 0.36
▸ GABRB3 P28472 2/20 0.36
▸ GABRA5 P31644 2/20 0.36
▸ GABRA1 P14867 1/20 0.34
▸ GABRA2 P47869 1/20 0.34
▸ GABRA6 Q16445 1/20 0.34
▸ ELANE P08246 1/20 0.34
▸ GBA1 P04062 1/20 0.34
▸ REN P00797 1/20 0.34
▸ CHRM2 P08172 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ CCNB2 O95067 1/20 0.33

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
SCHEMBL16486040 0.90 BTK (0.38) BTKSCN9ASCN5AGPR119CYP3A4
SCHEMBL29773883 0.75 CHRM2 (0.49) GPR119GABRG2GABRB3GABRA5GABRA1
SCHEMBL30765618 0.73 NAMPT (0.41) BTKSCN9AGPR119CYP3A4GABRG2
SCHEMBL13147853 0.73 CCNB2 (0.39) BTKSCN9ASCN5AGPR119CYP3A4
SCHEMBL19806740 0.71 DDB1 (0.42) GPR119GABRG2GABRB3GABRA5GABRA1
SCHEMBL27905863 0.70 CHRM2 (0.49) GPR119GABRG2GABRB3GABRA5GABRA1
SCHEMBL16597821 0.68 GABRG2 (0.42) GPR119GABRG2GABRB3GABRA5GABRA1
SCHEMBL22978317 0.68 GABRG2 (0.39) BTKGPR119GABRG2GABRB3GABRA5
SCHEMBL19805011 0.68 GABRG2 (0.37) BTKGPR119GABRG2GABRB3GABRA5
SCHEMBL16637537 0.68 GABRG2 (0.37) GPR119GABRG2GABRB3GABRA5GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160151337-A1 ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS GRUENENTHAL GMBH (DE) 2016-06-02 — — US disclosed
US-20160151337-A1 ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS GRUENENTHAL GMBH (DE) 2016-06-02 — — 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-20160151337-A1 ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS AADAC, PRRC2C, PRRC2A BTK 1758/4885SCN9A 3127/4885SCN5A 3533/4885

“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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