SCHEMBL868367

SCHEMBL868367

COC1CCCc2nc(Cl)ccc21

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.41
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
CHRNB2 P17787 3/20 0.35
CHRNA4 P43681 3/20 0.35
KLKB1 P03952 1/20 0.32
GRM5 P41594 3/20 0.31
PDCD1LG2 Q9BQ51 2/20 0.31
CD274 Q9NZQ7 2/20 0.31
C5AR1 P21730 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
SCHEMBL9753594 0.84 CYP11B1 (0.36) AKR1C3CYP11B1CYP11B2CHRNB2CHRNA4
SCHEMBL30646123 0.83 AKR1C3 (0.45) AKR1C3CHRNB2CHRNA4KLKB1C5AR1
SCHEMBL868057 0.80 CHRNB2 (0.32) CHRNB2CHRNA4
SCHEMBL12891722 0.78 CHRNB2 (0.38) CHRNB2CHRNA4KLKB1GRM5
SCHEMBL12891724 0.78 CHRNB2 (0.38) CHRNB2CHRNA4KLKB1GRM5
SCHEMBL31247610 0.76 CHRNB2 (0.39) CHRNB2CHRNA4KLKB1GRM5
SCHEMBL23407424 0.75 GRM5 (0.32) CHRNB2CHRNA4GRM5
SCHEMBL14614599 0.75 CHRNB2 (0.38) CYP11B1CYP11B2CHRNB2CHRNA4KLKB1
SCHEMBL18795872 0.75 CHRNB2 (0.38) CYP11B1CYP11B2CHRNB2CHRNA4KLKB1
SCHEMBL868299 0.75 GRM5 (0.52) CHRNB2CHRNA4GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10100048-B2 Heterocyclic compounds and their use as glycogen synthase kinase-3 inhibitors AbbVie Deutschland GmbH & Co. KG (DE) 2018-10-16 US disclosed
EP-2621914-B1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS ABBOTT GMBH & CO KG (DE) 2016-12-28 EP disclosed
US-20160194320-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS ABBVIE DEUTSCHLAND (DE) 2016-07-07 US disclosed
US-9266855-B2 Heterocyclic compounds and their use as glycogen synthase kinase-3 inhibitors AbbVie Deutschland GmbH & Co. KG (DE) 2016-02-23 US disclosed
US-20160016932-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-21 US disclosed
CN-103119035-B Heterogeneous ring compound and they are as the purposes of GSK-3 inhibitor ABBOTT GMBH & CO.KG (DE) 2015-09-30 CN disclosed
EP-2621914-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS Abbott GmbH & Co. KG (DE) 2013-08-07 EP disclosed
CN-103119035-A Heterocyclic compounds and their use as glycogen synthase kinase-3 inhibitors ABBOTT GMBH & CO KG 2013-05-22 CN disclosed
WO-2012041814-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS ABBOTT GMBH & CO. KG (DE) 2012-04-05 WO disclosed
US-20120077840-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS ABBOTT GMBH & CO. KG (DE) 2012-03-29 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 (4 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-20160194320-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS GSK3B, GSK3A, GYS2 AKR1C3 1759/4885CYP11B1 544/4885CYP11B2 654/4885
US-20160016932-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS GSK3B, GSK3A, GYS2 AKR1C3 1759/4885CYP11B1 544/4885CYP11B2 654/4885
US-20120077840-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS GSK3B, GSK3A, GYS2 AKR1C3 1759/4885CYP11B1 544/4885CYP11B2 654/4885
US-10100048-B2 Heterocyclic compounds and their use as glycogen synthase kinase-3 inhibitors GSK3B, GSK3A, GYS2 AKR1C3 1759/4885CYP11B1 544/4885CYP11B2 654/4885

“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.