SCHEMBL2124284

SCHEMBL2124284

c1ccc(CCCOc2c[nH]nc2-c2cccnc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 11/20 0.61
CYP11B2 P19099 11/20 0.61
CYP19A1 P11511 4/20 0.52
IDO1 P14902 1/20 0.44
ELOVL1 Q9BW60 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GPR84 Q9NQS5 1/20 0.40
CHRNA7 P36544 1/20 0.40
SERPINE1 P05121 1/20 0.40

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
SCHEMBL2125405 0.83 CYP2C9 (0.57) CYP11B1CYP11B2CYP19A1IDO1SMN1; SMN2
SCHEMBL2125444 0.82 CYP3A4 (0.52) CYP11B1CYP11B2CYP19A1IDO1SMN1; SMN2
SCHEMBL2122561 0.78 CYP11B1 (0.43) CYP11B1CYP11B2CYP19A1IDO1ELOVL1
SCHEMBL2121754 0.78 CYP11B1 (0.46) CYP11B1CYP11B2CYP19A1IDO1SMN1; SMN2
SCHEMBL2131079 0.76 CYP11B1 (0.44) CYP11B1CYP11B2CYP19A1IDO1GPR84
SCHEMBL28176277 0.72 CDK2 (0.47) CYP19A1MAPK1
SCHEMBL28928085 0.72 MAPK1 (0.42) MAPK1SMN1; SMN2
SCHEMBL2123704 0.71 SMN1; SMN2 (0.53) CYP11B1CYP11B2IDO1SMN1; SMN2GPR84
SCHEMBL19118027 0.71 CYP11B1 (0.50) CYP11B1CYP11B2CYP19A1IDO1ELOVL1
SCHEMBL27463979 0.70 CDK1 (0.41) MAPK1SMN1; 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 21 patents — showing the first 20. 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-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-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-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-8084473-B2 Heterocyclic compounds with affinity to muscarinic receptors SOLVAY PHARMACEUTICALS B.V. (NL) 2011-12-27 US disclosed
CN-101939311-A Heterocyclic compounds with affinity for muscarinic receptors SOLVAY PHARM BV 2011-01-05 CN disclosed
EP-2150543-A2 HETEROCYCLIC COMPOUNDS WITH AFFINITY TO MUSCARINIC RECEPTORS Solvay Pharmaceuticals B.V. (NL) 2010-02-10 EP 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
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
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 213/4885CYP19A1 820/4885
US-20140080861-A1 HETEROCYCLIC COMPOUNDS IWTH AFFINITY TO MUSCARINIC RECEPTORS CHRM3, CHRM4, CHRM5 CYP11B1 212/4885CYP11B2 198/4885CYP19A1 287/4885
US-20090018160-A1 Heterocyclic Compounds with Affinity to Muscarinic Receptors CHRM3, CHRM2, CHRM1 CYP11B1 485/4885CYP11B2 449/4885CYP19A1 1759/4885

“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.