SCHEMBL17439992

SCHEMBL17439992

CCOC(=O)c1cc(Cl)c(C(F)F)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 8/20 0.49
▸ GABRG2 P18507 8/20 0.49
▸ GABRB3 P28472 8/20 0.49
▸ GABRA5 P31644 8/20 0.49
▸ GABRA3 P34903 8/20 0.49
▸ GABRA2 P47869 8/20 0.49
▸ GABRA4 P48169 8/20 0.49
▸ GABRA6 Q16445 8/20 0.49
▸ GABRP O00591 6/20 0.49
▸ GABRD O14764 6/20 0.49
▸ GABRB1 P18505 6/20 0.49
▸ GABRB2 P47870 6/20 0.49
▸ GABRE P78334 6/20 0.49
▸ GABRG1 Q8N1C3 6/20 0.49
▸ GABRG3 Q99928 6/20 0.49
▸ GABRQ Q9UN88 6/20 0.49
▸ ALDH1A1 P00352 3/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ LMNA P02545 2/20 0.44

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
SCHEMBL18725442 0.83 MAPK1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17439991 0.81 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29750083 0.81 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL20752332 0.78 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17440116 0.78 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17440153 0.78 GABRA2 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL16793952 0.75 L3MBTL1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1424815 0.75 GABRP (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17440055 0.74 UCHL1 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL26899199 0.74 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3

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-20160016907-A1 PYRIDINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS PFIZER INC. (US) 2016-01-21 — — US disclosed
WO-2016009297-A1 PYRIDINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS PFIZER INC. (US) 2016-01-21 — — 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-20160016907-A1 PYRIDINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CHRM2, CHRM4 GABRA1 256/4885GABRG2 649/4885GABRB3 619/4885

“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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