SCHEMBL2608750

SCHEMBL2608750

C[Si](C)(C)CCOCn1cc(OCCCc2ccccc2)c(-c2cccnc2)n1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 9/20 0.48
CYP11B2 P19099 9/20 0.48
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP19A1 P11511 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 1/20 0.40
ASAH1 Q13510 1/20 0.39
PTAFR P25105 1/20 0.37
NAMPT P43490 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
SCHEMBL2608757 0.87 CYP2C9 (0.44) CYP11B1CYP11B2ALDH1A1L3MBTL1CYP19A1
SCHEMBL2121540 0.79 ALDH1A1 (0.40) ALDH1A1L3MBTL1CYP19A1SMN1; SMN2PKM
SCHEMBL2608752 0.78 ALDH1A1 (0.40) ALDH1A1L3MBTL1CYP19A1SMN1; SMN2PKM
SCHEMBL31074681 0.78 ALDH1A1 (0.40) ALDH1A1L3MBTL1CYP19A1SMN1; SMN2PKM
SCHEMBL2122998 0.78 ALDH1A1 (0.42) ALDH1A1L3MBTL1CYP19A1SMN1; SMN2PKM
SCHEMBL2608746 0.78 ALDH1A1 (0.40) ALDH1A1L3MBTL1CYP19A1SMN1; SMN2PKM
SCHEMBL30725990 0.75 DGAT1 (0.39) ALDH1A1L3MBTL1CYP19A1SMN1; SMN2PKM
SCHEMBL31074755 0.73 CYP11B1 (0.40) CYP11B1CYP11B2ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL30726006 0.71 HDAC1 (0.46) ALDH1A1CYP19A1SMN1; SMN2
SCHEMBL2608745 0.70 ALDH1A1 (0.35) 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 CYP11B1 270/4885CYP11B2 213/4885ALDH1A1 1687/4885
US-20140080861-A1 HETEROCYCLIC COMPOUNDS IWTH AFFINITY TO MUSCARINIC RECEPTORS CHRM3, CHRM4, CHRM5 CYP11B1 212/4885CYP11B2 198/4885ALDH1A1 1428/4885
US-20090018160-A1 Heterocyclic Compounds with Affinity to Muscarinic Receptors CHRM3, CHRM2, CHRM1 CYP11B1 485/4885CYP11B2 449/4885ALDH1A1 3609/4885

“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.