SCHEMBL12890751

SCHEMBL12890751

Cc1noc(C2CCCN2C(C)C)n1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.43
HDAC6 Q9UBN7 7/20 0.39
HDAC1 Q13547 5/20 0.39
OGA O60502 1/20 0.38
HDAC8 Q9BY41 4/20 0.37
HDAC5 Q9UQL6 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
SCHEMBL9963155 0.95 HDAC6 (0.43) CHRM2HDAC6HDAC1OGAHDAC8
SCHEMBL15931995 0.83 GPR119 (0.42)
SCHEMBL16945611 0.79 CHRNB2 (0.51) CHRM2
SCHEMBL12890048 0.79 CHRNB2 (0.51) CHRM2
SCHEMBL12888973 0.75 CHRM2 (0.43) CHRM2HDAC6HDAC1HDAC8HDAC5
SCHEMBL12905219 0.75 CHRM2 (0.43) CHRM2HDAC6HDAC1HDAC8HDAC5
SCHEMBL15934068 0.75 CHRM2 (0.43) CHRM2HDAC6HDAC1HDAC8HDAC5
SCHEMBL18997800 0.75 CHRNB2 (0.35)
SCHEMBL15934108 0.74 CHRM2 (0.40) CHRM2HDAC6HDAC1HDAC8HDAC5
SCHEMBL14213479 0.73 OGA (0.37) CHRM2OGA

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
US-20140221332-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-08-07 US disclosed
US-7879839-B2 For treatment and prevention of cardiac arrhythmias; (+-)-2-Morpholin-4-yl-2-phenyl-1,1-dipyridin-3-yl-ethanol; (+-)-2-[(2-methoxyethyl)(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 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 (2 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-20080090794-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 CHRM2 3074/4885HDAC6 1011/4885HDAC1 993/4885
US-20140221332-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF GRM5, GRIK5, GRM2 CHRM2 591/4885HDAC6 2638/4885HDAC1 2694/4885

“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.