SCHEMBL17440139

SCHEMBL17440139

COc1cnc(C(=O)O)cc1Cc1ccc(-c2coc(C)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 5/20 0.45
▸ ENPP3 O14638 4/20 0.43
▸ ENPP1 P22413 2/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ NR2F2 P24468 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMO O15229 3/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ IGFBP5 P24593 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ L3MBTL1 Q9Y468 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
SCHEMBL17443020 0.91 TP53 (0.44) TP53ENPP3ENPP1NPC1NR2F2
SCHEMBL17440066 0.89 TP53 (0.47) TP53ENPP3ENPP1NPC1NR2F2
SCHEMBL17440138 0.87 CHRM1 (0.44) TP53ENPP3ENPP1MRGPRX4POLB
SCHEMBL17440146 0.81 CHRM1 (0.51) CHRM1
SCHEMBL17440117 0.79 CHRM1 (0.65) CHRM1
SCHEMBL17440096 0.79 CHRM1 (0.65) CHRM1
SCHEMBL17450461 0.78 CHRM1 (0.45) TP53ENPP3ENPP1POLBTHRB
SCHEMBL20031037 0.74 DHODH (0.40) TP53ENPP3ENPP1MRGPRX4POLB
SCHEMBL17450409 0.71 KDM4E (0.36) POLBTDP1IGFBP5KDM4EL3MBTL1
SCHEMBL17440130 0.70 CHRM1 (0.61) NPC1RAB9AKMOTDP1CHRM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TP53 2420/4885ENPP3 1766/4885ENPP1 1139/4885

“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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