SCHEMBL17443025

SCHEMBL17443025

CCOC(=O)c1cc(Cc2ccc(-c3ccn(C)n3)cc2)c(C)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JMJD6 Q6NYC1 4/20 0.47
▸ CHRM1 P11229 7/20 0.41
▸ GABRP O00591 2/20 0.41
▸ GABRD O14764 2/20 0.41
▸ GABRA1 P14867 2/20 0.41
▸ GABRB1 P18505 2/20 0.41
▸ GABRG2 P18507 2/20 0.41
▸ GABRB3 P28472 2/20 0.41
▸ GABRA5 P31644 2/20 0.41
▸ GABRA3 P34903 2/20 0.41
▸ GABRA2 P47869 2/20 0.41
▸ GABRB2 P47870 2/20 0.41
▸ GABRA4 P48169 2/20 0.41
▸ GABRE P78334 2/20 0.41
▸ GABRA6 Q16445 2/20 0.41
▸ GABRG1 Q8N1C3 2/20 0.41
▸ GABRG3 Q99928 2/20 0.41
▸ GABRQ Q9UN88 2/20 0.41
▸ CYP19A1 P11511 1/20 0.40
▸ MEN1 O00255 2/20 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
SCHEMBL18725460 0.90 CHRM1 (0.44) JMJD6CHRM1CYP19A1MEN1KMT2A
SCHEMBL17440142 0.87 CHRM1 (0.44) JMJD6CHRM1CYP19A1KMT2APDE2A
SCHEMBL17440098 0.84 GABRP (0.42) JMJD6CHRM1GABRPGABRDGABRA1
SCHEMBL17440047 0.81 CHRM1 (0.56) CHRM1GABRPGABRDGABRA1GABRB1
SCHEMBL17440020 0.81 CHRM1 (0.57) CHRM1GABRPGABRDGABRA1GABRB1
SCHEMBL17440016 0.81 GABRA1 (0.42) CHRM1GABRPGABRDGABRA1GABRB1
SCHEMBL18725427 0.80 CHRM1 (0.59) CHRM1PDE2APDE11A
SCHEMBL18725352 0.79 CHRM1 (0.59) CHRM1PDE2APDE11A
SCHEMBL17440134 0.78 MAOB (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18756044 0.78 CHRM1 (0.39) JMJD6CHRM1CYP19A1KMT2APDE2A

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
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 JMJD6 2147/4885CHRM1 1/4885GABRP 267/4885

“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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