SCHEMBL2608767

SCHEMBL2608767

CN1CCC=C(c2c(I)cnn2COCC[Si](C)(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 7/20 0.41
CHRM3 P20309 7/20 0.41
CHRM1 P11229 10/20 0.38
CHRM4 P08173 8/20 0.38
CHRM5 P08912 5/20 0.38
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36

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
SCHEMBL2123505 0.76 CHRM1 (0.41) CHRM2CHRM3CHRM1CHRM4CHRM5
SCHEMBL27167015 0.71 F2RL1 (0.35)
SCHEMBL26103015 0.70 DGAT1 (0.36)
SCHEMBL1288239 0.70 ADRB2 (0.31)
SCHEMBL14047082 0.70 CHRM2 (0.46) CHRM2CHRM3CHRM1CHRM4CHRM5
SCHEMBL2608751 0.69 CYP2C19 (0.36)
SCHEMBL14895808 0.68 ALOX5AP (0.37)
SCHEMBL2122594 0.67 CHRM1 (0.43) CHRM1CHRM4
SCHEMBL31104413 0.66 HTT (0.36)
SCHEMBL25048792 0.66 DGAT1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735388-B2 Heterocyclic compounds with affinity to muscarinic receptors ABBVIE B.V. (NL) 2014-05-27 US disclosed
US-20140080861-A1 HETEROCYCLIC COMPOUNDS IWTH AFFINITY TO MUSCARINIC RECEPTORS ABBVIE B.V.A (NL) 2014-03-20 US disclosed
US-8586606-B2 Heterocyclic compounds with affinity to muscarinic receptors ABBVIE B.V. (NL) 2013-11-19 US disclosed
US-20120095039-A1 HETEROCYCLIC COMPOUNDS WITH AFFINITY TO MUSCARINIC RECEPTORS SOLVAY PHARMACEUTICALS B.V. 2012-04-19 US disclosed
US-8084473-B2 Heterocyclic compounds with affinity to muscarinic receptors SOLVAY PHARMACEUTICALS B.V. (NL) 2011-12-27 US disclosed
US-20090018160-A1 Heterocyclic Compounds with Affinity to Muscarinic Receptors ABBVIE B.V. (NL) 2009-01-15 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-20120095039-A1 HETEROCYCLIC COMPOUNDS WITH AFFINITY TO MUSCARINIC RECEPTORS CHRM3, CHRM5, CHRM2 CHRM2 3/4885CHRM3 1/4885CHRM1 4/4885
US-20140080861-A1 HETEROCYCLIC COMPOUNDS IWTH AFFINITY TO MUSCARINIC RECEPTORS CHRM3, CHRM4, CHRM5 CHRM2 5/4885CHRM3 1/4885CHRM1 4/4885
US-20090018160-A1 Heterocyclic Compounds with Affinity to Muscarinic Receptors CHRM3, CHRM2, CHRM1 CHRM2 2/4885CHRM3 1/4885CHRM1 3/4885

“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.