SCHEMBL17440134

SCHEMBL17440134

CCOC(=O)c1cc(Cc2ccc(OC)cc2)c(C)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.46
▸ MAPT P10636 4/20 0.46
▸ HPGD P15428 3/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ CCR6 P51684 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HKDC1 Q2TB90 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ GABRA1 P14867 6/20 0.46
▸ GABRG2 P18507 6/20 0.46
▸ GABRB3 P28472 6/20 0.46
▸ GABRA5 P31644 6/20 0.46

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
SCHEMBL18725435 0.90 ALDH1A1 (0.47) ALDH1A1HPGDKDM4ERAB9ANPSR1
SCHEMBL11635981 0.82 ALDH1A1 (0.50) MAOBALDH1A1MAPTHPGDKDM4E
SCHEMBL17440016 0.80 GABRA1 (0.42) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL17440097 0.79 GABRA1 (0.41) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL17440112 0.79 ADRB2 (0.42) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL17440047 0.78 CHRM1 (0.56) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL17440020 0.78 CHRM1 (0.57) ALDH1A1MAPTKDM4ENPC1LMNA
SCHEMBL17443025 0.78 JMJD6 (0.47) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL18725363 0.78 GABRP (0.46) ALDH1A1MAPTHPGDKDM4ERAB9A
SCHEMBL17440030 0.78 CHRM1 (0.61) GABRA1GABRG2GABRB3GABRA5GABRA3

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 2 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
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 MAOB 389/4885ALDH1A1 2224/4885MAPT 180/4885

“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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