SCHEMBL17440145

SCHEMBL17440145

CCOC(=O)c1cc(Cc2ccc(-c3cnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)cc2)c(C)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA2 P47869 11/20 0.41
▸ GABRB2 P47870 10/20 0.41
▸ 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
▸ GABRP O00591 6/20 0.41
▸ GABRD O14764 6/20 0.41
▸ GABRB1 P18505 6/20 0.41
▸ GABRA4 P48169 6/20 0.41
▸ GABRE P78334 6/20 0.41
▸ GABRA6 Q16445 6/20 0.41
▸ GABRG1 Q8N1C3 6/20 0.41
▸ GABRG3 Q99928 6/20 0.41
▸ GABRQ Q9UN88 6/20 0.41
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.37

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
SCHEMBL17440016 0.75 GABRA1 (0.42) GABRA2GABRB2GABRA1GABRG2GABRB3
SCHEMBL17440098 0.75 GABRP (0.42) GABRA2GABRB2GABRA1GABRG2GABRB3
SCHEMBL3144115 0.74 HPGD (0.44) GABRA2GABRB2ALDH1A1LMNANPC1
SCHEMBL17443025 0.73 JMJD6 (0.47) GABRA2GABRB2GABRA1GABRG2GABRB3
SCHEMBL17440134 0.73 MAOB (0.47) GABRA2GABRB2GABRA1GABRG2GABRB3
SCHEMBL17440030 0.73 CHRM1 (0.61) GABRA2GABRB2GABRA1GABRG2GABRB3
SCHEMBL17440112 0.72 ADRB2 (0.42) GABRA2GABRB2GABRA1GABRG2GABRB3
SCHEMBL17440097 0.72 GABRA1 (0.41) GABRA2GABRB2GABRA1GABRG2GABRB3
SCHEMBL17440047 0.71 CHRM1 (0.56) GABRA2GABRB2GABRA1GABRG2GABRB3
SCHEMBL17440020 0.71 CHRM1 (0.57) GABRA2GABRB2GABRA1GABRG2GABRB3

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 1 patent. 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

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 GABRA2 404/4885GABRB2 770/4885GABRA1 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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