SCHEMBL17440097

SCHEMBL17440097

CCOC(=O)c1cc(Cc2ccc(-c3cncs3)cc2)c(C)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 7/20 0.41
▸ GABRG2 P18507 7/20 0.41
▸ GABRB3 P28472 7/20 0.41
▸ GABRA5 P31644 7/20 0.41
▸ GABRA3 P34903 7/20 0.41
▸ GABRA2 P47869 7/20 0.41
▸ GABRA4 P48169 7/20 0.41
▸ GABRA6 Q16445 7/20 0.41
▸ GABRP O00591 6/20 0.41
▸ GABRD O14764 6/20 0.41
▸ GABRB1 P18505 6/20 0.41
▸ GABRB2 P47870 6/20 0.41
▸ GABRE P78334 6/20 0.41
▸ GABRG1 Q8N1C3 6/20 0.41
▸ GABRG3 Q99928 6/20 0.41
▸ GABRQ Q9UN88 6/20 0.41
▸ CHRM1 P11229 3/20 0.39
▸ PDE2A O00408 1/20 0.39
▸ PDE11A Q9HCR9 1/20 0.39
▸ IDO1 P14902 1/20 0.38

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
SCHEMBL17440026 0.86 CHRM1 (0.41) CHRM1PDE2APDE11AKDM4EALDH1A1
SCHEMBL17440112 0.83 ADRB2 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17440047 0.82 CHRM1 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17440134 0.79 MAOB (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17440016 0.79 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17443025 0.77 JMJD6 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17440020 0.77 CHRM1 (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17440015 0.77 PLK1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17440098 0.77 GABRP (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL11713162 0.74 ESR1 (0.51) KDM4ENPC1ALDH1A1LMNAMAPT

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-20160016907-A1 PYRIDINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS PFIZER INC. (US) 2016-01-21 — — US disclosed
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
WO-2016009297-A1 PYRIDINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS PFIZER INC. (US) 2016-01-21 — — WO disclosed
US-20160016907-A1 PYRIDINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS PFIZER INC. (US) 2016-01-21 — — 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-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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