SCHEMBL16486040

SCHEMBL16486040

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.38
▸ SCN9A Q15858 4/20 0.37
▸ SCN5A Q14524 1/20 0.37
▸ CCNB2 O95067 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ CCNB1 P14635 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ CCNB3 Q8WWL7 1/20 0.37
▸ GPR119 Q8TDV5 3/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP3A5 P20815 1/20 0.36
▸ GABRG2 P18507 2/20 0.35
▸ GABRB3 P28472 2/20 0.35
▸ GABRA5 P31644 2/20 0.35
▸ GABRA1 P14867 1/20 0.34
▸ GABRA2 P47869 1/20 0.34
▸ GABRA6 Q16445 1/20 0.34
▸ REN P00797 1/20 0.33
▸ ELANE P08246 1/20 0.33
▸ GBA1 P04062 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
SCHEMBL17790284 0.90 BTK (0.39) BTKSCN9ASCN5ACCNB2CDK1
SCHEMBL13147853 0.81 CCNB2 (0.39) BTKSCN9ASCN5ACCNB2CDK1
SCHEMBL29773883 0.74 CHRM2 (0.49) GPR119GABRG2GABRB3GABRA5GABRA1
SCHEMBL16597821 0.72 GABRG2 (0.42) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL19805011 0.71 GABRG2 (0.37) BTKCCNB2CDK1CCNB1GSK3B
SCHEMBL19806740 0.71 DDB1 (0.42) GPR119GABRG2GABRB3GABRA5GABRA1
SCHEMBL27905863 0.70 CHRM2 (0.49) GPR119GABRG2GABRB3GABRA5GABRA1
SCHEMBL26818488 0.69 GPR119 (0.40) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL23104799 0.69 CHRM2 (0.45) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL22251171 0.69 ELANE (0.40) BTKGPR119ELANE

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-3033342-A1 ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS Grünenthal GmbH (DE) 2016-06-22 — — EP disclosed
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
US-20160151337-A1 ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS GRUENENTHAL GMBH (DE) 2016-06-02 — — US disclosed
WO-2015022073-A1 ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS Grünenthal GmbH (DE) 2015-02-19 — — WO 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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