Sugi Predict

Sugi Predict / Compounds / SCHEMBL602399

SCHEMBL602399

SCHEMBL602399

Cc1cc2[nH]c(=O)n(C3CCNCC3)c2cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 3/20 0.51
▸ CHRM4 P08173 3/20 0.51
▸ CHRM5 P08912 3/20 0.51
▸ CHRM1 P11229 3/20 0.51
▸ CHRM3 P20309 3/20 0.51
▸ KCNH2 Q12809 2/20 0.51
▸ HSD11B1 P28845 1/20 0.44
▸ JAK2 O60674 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ OPRM1 P35372 4/20 0.42
▸ PGR P06401 4/20 0.42
▸ SIRT2 Q8IXJ6 1/20 0.42
▸ HTR1A P08908 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL8241559 0.89 OPRM1 (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4647304 0.89 CHRM2 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4647996 0.89 CHRM1 (0.65) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4649346 0.89 OPRM1 (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL4749717 0.88 OPRM1 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL4647887 0.88 OPRM1 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL4749245 0.88 CHRM1 (0.64) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4647397 0.86 ALDH1A1 (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4647520 0.85 PGR (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4649344 0.85 CHRM1 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996188-B1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2013-05-15 — — EP disclosed
EP-1996188-B1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2013-05-15 — — EP disclosed
US-20120309789-A1 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED 2012-12-06 — — US disclosed
US-20120309789-A1 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED 2012-12-06 — — US disclosed
US-8288412-B2 Psychological disorders; cognition activators GLAXO GROUP LIMITED (GB) 2012-10-16 — — US disclosed
US-8288412-B2 Psychological disorders; cognition activators GLAXO GROUP LIMITED (GB) 2012-10-16 — — US disclosed
US-8288412-B2 Psychological disorders; cognition activators GLAXO GROUP LIMITED (GB) 2012-10-16 — — US disclosed
EP-1960389-B1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2012-08-15 — — EP disclosed
US-20120041027-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED 2012-02-16 — — US disclosed
US-20120041027-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED 2012-02-16 — — US disclosed
WO-2007107566-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-09-27 — — WO disclosed
WO-2007036718-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-04-05 — — WO disclosed
WO-2007036718-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-04-05 — — WO disclosed
EP-0068261-B1 N-OXACYCLYL-ALKYLPIPERIDINE DERIVATIVES, THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1985-04-03 — — EP disclosed
US-4470989-A Neuroleptic n-oxacyclyl-alkylpiperidine derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1984-09-11 — — US disclosed
US-4411904-A Diphenylpropanamines, compositions thereof and use thereof WARNER-LAMBERT COMPANY (US) 1983-10-25 — — US disclosed
EP-0068261-A1 N-oxacyclyl-alkylpiperidine derivatives, their preparation, pharmaceutical preparations containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1983-01-05 — — EP disclosed
US-4364954-A NEUROLEPTIC AGENT WARNER-LAMBERT COMPANY (US) 1982-12-21 — — US disclosed
US-4292321-A 1,3,8-Triazaspirodecane-4-ones, pharmaceutical compositions thereof and method of use thereof WARNER-LAMBERT COMPANY (US) 1981-09-29 — — US disclosed
US-3996362-A ANTIDEPRESSANTS, ANTIINFLAMMATORY AGENTS E. R. SQUIBB & SONS, INC. (US) 1976-12-07 — — 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 (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-20120041027-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 CHRM2 2/4885CHRM4 3/4885CHRM5 4/4885
US-20120309789-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 CHRM2 2/4885CHRM4 4/4885CHRM5 3/4885

“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.