SCHEMBL2608745

SCHEMBL2608745

C[Si](C)(C)CCOCn1cc(SCCCC(F)(F)F)c(-c2cccnc2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DGAT1 O75907 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
MAPK1 P28482 1/20 0.32
KCNH2 Q12809 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
MAPT P10636 3/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL2608744 0.82 DGAT1 (0.32) DGAT1CHRM2CHRM4CHRM5CHRM1
SCHEMBL30725990 0.79 DGAT1 (0.39) ALDH1A1L3MBTL1DGAT1NPC1RAB9A
SCHEMBL2121540 0.77 ALDH1A1 (0.40) ALDH1A1L3MBTL1DGAT1NPC1RAB9A
SCHEMBL2608752 0.76 ALDH1A1 (0.40) ALDH1A1L3MBTL1DGAT1NPC1RAB9A
SCHEMBL31074681 0.76 ALDH1A1 (0.40) ALDH1A1L3MBTL1DGAT1NPC1RAB9A
SCHEMBL2608746 0.76 ALDH1A1 (0.40) ALDH1A1L3MBTL1DGAT1NPC1RAB9A
SCHEMBL2122998 0.76 ALDH1A1 (0.42) ALDH1A1L3MBTL1DGAT1NPC1RAB9A
SCHEMBL2608757 0.73 CYP2C9 (0.44) ALDH1A1L3MBTL1DGAT1NPC1RAB9A
SCHEMBL31074755 0.71 CYP11B1 (0.40) ALDH1A1L3MBTL1DGAT1NPC1RAB9A
SCHEMBL2608750 0.70 CYP11B1 (0.48) ALDH1A1L3MBTL1CYP19A1SMN1; SMN2

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 12 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-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-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-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-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
US-20090018160-A1 Heterocyclic Compounds with Affinity to Muscarinic Receptors ABBVIE B.V. (NL) 2009-01-15 US disclosed
WO-2008129054-A2 HETEROCYCLIC COMPOUNDS WITH AFFINITY TO MUSCARINIC RECEPTORS SOLVAY PHARMACEUTICALS B.V. (NL) 2008-10-30 WO 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 ALDH1A1 1687/4885L3MBTL1 4650/4885DGAT1 3057/4885
US-20140080861-A1 HETEROCYCLIC COMPOUNDS IWTH AFFINITY TO MUSCARINIC RECEPTORS CHRM3, CHRM4, CHRM5 ALDH1A1 1428/4885L3MBTL1 4637/4885DGAT1 2564/4885
US-20090018160-A1 Heterocyclic Compounds with Affinity to Muscarinic Receptors CHRM3, CHRM2, CHRM1 ALDH1A1 3609/4885L3MBTL1 1966/4885DGAT1 2362/4885

“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.