Sugi Predict

Sugi Predict / Compounds / SCHEMBL3853785

SCHEMBL3853785

SCHEMBL3853785

Cc1cc([C@@H]2CCCN2)on1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 4/20 0.51
▸ CHRM5 P08912 4/20 0.51
▸ CHRM3 P20309 4/20 0.51
▸ CHRM4 P08173 3/20 0.51
▸ CHRM1 P11229 3/20 0.51
▸ CHRNB2 P17787 4/20 0.49
▸ CHRNB4 P30926 3/20 0.49
▸ CHRNA3 P32297 3/20 0.49
▸ CHRNA4 P43681 3/20 0.49
▸ CHRNA5 P30532 1/20 0.49
▸ CHRNA7 P36544 1/20 0.47

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
SCHEMBL8114272 1.00 CHRM2 (0.51) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL164422 1.00 CHRM2 (0.51) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL9265646 0.95 CHRNB2 (0.48) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL9261614 0.95 CHRNB2 (0.48) CHRM2CHRM5CHRM3CHRM4CHRM1
Hydrochloric Acid SCHEMBL9268819 0.93 CHRNB2 (0.47) CHRM2CHRM5CHRM3CHRM4CHRM1
Hydrochloric Acid SCHEMBL9257279 0.93 CHRNB2 (0.47) CHRM2CHRM5CHRM3CHRM4CHRM1
Hydrochloric Acid SCHEMBL9263385 0.93 CHRNB2 (0.47) CHRM2CHRM5CHRM3CHRM4CHRM1
Oxalic Acid SCHEMBL8104972 0.91 CHRNB2 (0.44) CHRM2CHRM5CHRM3CHRM4CHRM1
Oxalic Acid SCHEMBL8114514 0.91 CHRNB2 (0.44) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL9265217 0.87 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0717741-B1 METHOD OF PREPARING ENANTIOMERICALLY-PURE 3-METHYL-5-(1-ALKYL-2(S)-PYRROLIDINYL)ISOXAZOLES ABBOTT LAB (US) 2001-05-30 — — EP claimed
EP-0588917-B1 ISOXAZOLE AND ISOTHIAZOLE COMPOUNDS THAT ENHANCE COGNITIVE FUNCTION ABBOTT LAB (US) 2000-11-08 — — EP claimed
US-5559242-A FROM PYROGLUTAMIC ACID, ESTERIFICATION, REACTION WITH DIANION OF ACETONE OXIME, CYCLIZATION, REDUCTION, ALKYLATION ABBOTT LABORATORIES (US) 1996-09-24 — — US claimed
EP-0717741-A1 METHOD OF PREPARING ENANTIOMERICALLY-PURE 3-METHYL-5-(1-ALKYL-2(S)-PYRROLIDINYL)ISOXAZOLES ABBOTT LABORATORIES (US) 1996-06-26 — — EP claimed
WO-1995007277-A1 METHOD OF PREPARING ENANTIOMERICALLY-PURE 3-METHYL-5-(1-ALKYL-2(S)-PYRROLIDINYL)ISOXAZOLES ABBOTT LABORATORIES (US) 1995-03-16 — — WO claimed
EP-0588917-A4 — — 1994-04-13 — — EP claimed
EP-0588917-A1 ISOXAZOLE AND ISOTHIAZOLE COMPOUNDS THAT ENHANCE COGNITIVE FUNCTION ABBOTT LABORATORIES (US) 1994-03-30 — — EP claimed
WO-1992021339-A1 ISOXAZOLE AND ISOTHIAZOLE COMPOUNDS THAT ENHANCE COGNITIVE FUNCTION ABBOTT LABORATORIES (US) 1992-12-10 — — WO claimed
US-9493446-B2 Orexin receptor antagonists which are [ortho bi-(hetero-)aryl]-[2-(meta bi-(hetero-)aryl)-pyrrolidin-1-yl]-methanone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-15 — — US disclosed
US-20150252032-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2015-09-10 — — US disclosed
EP-2487154-B1 Pyrrolidinyl beta-amino amide-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL MYERS SQUIBB CO (US) 2013-10-16 — — EP disclosed
EP-2487154-A1 Pyrrolidinyl beta-amino amide-based inhibitors of dipeptidyl peptidase IV and methods Bristol-Myers Squibb Company (US) 2012-08-15 — — EP disclosed
US-7579349-B2 4-(pyrazol-3-ylamino) pyrimidine derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2009-08-25 — — US disclosed
EP-1678169-B1 4-(PYRAZOL-3-YLAMINO)PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2009-07-22 — — EP disclosed
US-5508418-A FOR MAKING CHOLINERGIC OR ANXIOLYTIC AGENTS ABBOTT LABORATORIES (US) 1996-04-16 — — US disclosed
US-5424444-A Reacting N-alkyl-L-proline ester with salt of dianion of acetone oxime or acetonitrile or other imine anion compounds; cyclization, dehydration after reaction with Grignard reagent and hydroxylamine ABBOTT LABORATORIES (US) 1995-06-13 — — US disclosed
US-5409946-A Antiepileptic agent ABBOTT LABORATORIES (US) 1995-04-25 — — US disclosed
EP-0588917-A4 — — 1994-04-13 — — EP disclosed
EP-0588917-A1 ISOXAZOLE AND ISOTHIAZOLE COMPOUNDS THAT ENHANCE COGNITIVE FUNCTION ABBOTT LABORATORIES (US) 1994-03-30 — — EP disclosed
WO-1992021339-A1 ISOXAZOLE AND ISOTHIAZOLE COMPOUNDS THAT ENHANCE COGNITIVE FUNCTION ABBOTT LABORATORIES (US) 1992-12-10 — — 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 (1 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-20150252032-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES HCRTR2, HCRTR1, OXTR CHRM2 237/4885CHRM5 292/4885CHRM3 251/4885

“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.