SCHEMBL10201681

SCHEMBL10201681

COCNc1ccccc1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.56
ALDH1A1 P00352 5/20 0.48
MAPT P10636 4/20 0.48
GAA P10253 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.46
MAPK1 P28482 1/20 0.46
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL10632588 0.83 CHRM2 (0.59) CHRM2ALDH1A1MAPTGAANPC1
SCHEMBL30994802 0.81 CHRM2 (0.58) CHRM2ALDH1A1MAPTGAANPC1
SCHEMBL1022424 0.81 CHRM2 (0.58) CHRM2ALDH1A1MAPTGAANPC1
SCHEMBL7771127 0.80 CHRM2 (0.62) CHRM2ALDH1A1MAPTGAANPC1
SCHEMBL27725960 0.80 CHRM2 (0.49) CHRM2ALDH1A1MAPTGAANPC1
SCHEMBL25085547 0.79 CHRM2 (0.56) CHRM2ALDH1A1MAPTGAANPC1
Hydrochloric Acid SCHEMBL27890009 0.79 CHRM2 (0.61) CHRM2ALDH1A1MAPTGAANPC1
SCHEMBL5544539 0.79 CHRM2 (0.56) CHRM2ALDH1A1MAPTGAANPC1
SCHEMBL28079809 0.79 CHRM2 (0.56) CHRM2ALDH1A1MAPTGAANPC1
SCHEMBL1644001 0.78 CHRM2 (0.64) CHRM2ALDH1A1MAPTGAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-8119631-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-21 US disclosed
US-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 US disclosed
US-7790713-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-07 US disclosed
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme BATCHELOR MARK J 2008-02-14 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 (3 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-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B CHRM2 4883/4885ALDH1A1 422/4885MAPT 1662/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B CHRM2 4883/4885ALDH1A1 422/4885MAPT 1662/4885
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 CHRM2 4883/4885ALDH1A1 440/4885MAPT 1774/4885

“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.