SCHEMBL17440098

SCHEMBL17440098

CCOC(=O)c1cc(Cc2ccc(-c3cn(C)nc3C)cc2)c(C)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 5/20 0.42
▸ GABRD O14764 5/20 0.42
▸ GABRA1 P14867 5/20 0.42
▸ GABRB1 P18505 5/20 0.42
▸ GABRG2 P18507 5/20 0.42
▸ GABRB3 P28472 5/20 0.42
▸ GABRA5 P31644 5/20 0.42
▸ GABRA3 P34903 5/20 0.42
▸ GABRA2 P47869 5/20 0.42
▸ GABRB2 P47870 5/20 0.42
▸ GABRA4 P48169 5/20 0.42
▸ GABRE P78334 5/20 0.42
▸ GABRA6 Q16445 5/20 0.42
▸ GABRG1 Q8N1C3 5/20 0.42
▸ GABRG3 Q99928 5/20 0.42
▸ GABRQ Q9UN88 5/20 0.42
▸ JMJD6 Q6NYC1 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ GAA P10253 1/20 0.39

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
SCHEMBL18725472 0.91 AXL (0.41) JMJD6AXLMERTKUSP30CHRM1
SCHEMBL18756137 0.87 USP30 (0.39) AXLMERTKUSP30CHRM1PDE2A
SCHEMBL17440089 0.87 AXL (0.40) KDM4EALDH1A1GAAAXLMERTK
SCHEMBL17443025 0.84 JMJD6 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17440134 0.78 MAOB (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17440016 0.78 GABRA1 (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17440097 0.77 GABRA1 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17440112 0.77 ADRB2 (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18725478 0.77 CHRM1 (0.64) AXLMERTKCHRM1PDE2APDE11A
SCHEMBL18725408 0.76 CHRM1 (0.66) AXLMERTKCHRM1PDE2APDE11A

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 4 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
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 GABRP 267/4885GABRD 866/4885GABRA1 256/4885

“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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