SCHEMBL5683254

SCHEMBL5683254

CN1CCN(CCNC2=C(c3ccc(Cl)cc3)C(=O)NC2=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 11/20 0.47
▸ CNR1 P21554 1/20 0.45
▸ GSK3A P49840 1/20 0.43
▸ TP53 P04637 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ PRKCB P05771 1/20 0.39
▸ PRKCA P17252 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KAT2B Q92831 1/20 0.39
▸ ACHE P22303 1/20 0.38

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
SCHEMBL5682558 0.88 GSK3B (0.48) GSK3BPRKCBPRKCAKAT2B
SCHEMBL12577577 0.73 ALDH1A1 (0.57) CNR1ALDH1A1
SCHEMBL5686110 0.72 GSK3B (0.55) GSK3BALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL12577609 0.69 DRD4 (0.51) CNR1ALDH1A1
SCHEMBL4424517 0.67 CNR1 (0.52) CNR1TP53ALDH1A1MEN1KMT2A
SCHEMBL5682564 0.67 PRKCB (0.53) GSK3BGSK3APRKCBPRKCA
SCHEMBL27950468 0.66 PTGS2 (0.69) GSK3BGSK3A
SCHEMBL6700657 0.63 GSK3B (0.44) GSK3BGSK3AALDH1A1SMN1; SMN2
SCHEMBL22834000 0.62 CNR1 (1.00) CNR1TP53ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4418818 0.62 CHRM2 (0.51) CNR1SMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252045-A1 Methods and materials for identifying agents which modulate bone remodeling and agents identified thereby WYETH 2006-11-09 — — US disclosed
WO-2005028678-A9 METHODS AND MATERIALS FOR IDENTIFYING AGENTS WHICH MODULATE BONE REMODELING AND AGENTS IDENTIFIED THEREBY WYETH CORP (US) 2006-08-31 — — WO disclosed
EP-1636388-A2 METHODS AND MATERIALS FOR IDENTIFYING AGENTS WHICH MODULATE BONE REMODELING AND AGENTS IDENTIFIED THEREBY Wyeth (US) 2006-03-22 — — EP disclosed
WO-2005028678-A2 METHODS AND MATERIALS FOR IDENTIFYING AGENTS WHICH MODULATE BONE REMODELING AND AGENTS IDENTIFIED THEREBY WYETH (US) 2005-03-31 — — WO disclosed
US-6719520-B2 FOR INHIBITION OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3); TREATMENT AND PROPHYLAXIS FOR DIABETES, CHRONIC NEURODEGENERATIVE CONDITIONS, MOOD DISORDERS SUCH AS SCHIZOPHRENIA AND MANIC DEPRESSION AND HAIR LOSS AND CANCER SMITHKLINE BEECHAM CORPORATION 2004-04-13 — — US disclosed
US-20040010031-A1 Novel method and compounds SMITHKLINE BEECHAM P.L.C. 2004-01-15 — — US disclosed
EP-1119548-A1 PYRROLE-2,5-DIONES AS GSK-3 INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2001-08-01 — — EP disclosed
WO-2000021927-A2 PYRROLE-2,5-DIONES AS GSK-3 INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2000-04-20 — — 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 (2 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-20040010031-A1 Novel method and compounds GSK3A, GSK3B, GSKIP GSK3B 2/4885CNR1 1192/4885GSK3A 1/4885
US-20060252045-A1 Methods and materials for identifying agents which modulate bone remodeling and agents identified thereby BMP4, BMP2, BMP6 GSK3B 2078/4885CNR1 1927/4885GSK3A 2144/4885

“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.

Send feedback