SCHEMBL4998566

SCHEMBL4998566

O=C1CC2(CCCC2)CC(=O)[N]1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 1/20 0.30

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
SCHEMBL5002158 0.97 SMN1; SMN2 (0.32) SMN1; SMN2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL428515 0.73
SCHEMBL3092593 0.72
SCHEMBL428337 0.71 ESR2 (0.38) SMN1; SMN2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL529832 0.69 CRBN (0.43) SMN1; SMN2
SCHEMBL664740 0.69 SMN1; SMN2 (0.34) SMN1; SMN2
SCHEMBL4015148 0.69
SCHEMBL136340 0.67
SCHEMBL19255977 0.67 CRBN (0.41) SMN1; SMN2
SCHEMBL1177140 0.67 SMN1; SMN2 (0.33) SMN1; 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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080227792-A1 3,4-Dihydro-1H-Isoquinoline-2-Carboxylic Acid 5-Aminopyridin-2-Yl Esters NOVO NORDISK A/S (DK) 2008-09-18 US claimed
WO-1995023137-A1 ACETIC ACID AMIDE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF EGIS Gyógyszergyár Rt. (HU) 1995-08-31 WO claimed
US-5294619-A N-(nitrogen-containing heterocyclylalkyl-phenyl-piperidines PFIZER INC. (US) 1994-03-15 US claimed
US-5250537-A Treating psychoses SCIOS NOVA INC. (US) 1993-10-05 US claimed
WO-1990006303-A1 ARYLPIPERIDINE DERIVATIVES PFIZER INC. (US) 1990-06-14 WO claimed
EP-0372776-A2 Arylpiperidine derivatives PFIZER INC. (US) 1990-06-13 EP claimed
US-20080227792-A1 3,4-Dihydro-1H-Isoquinoline-2-Carboxylic Acid 5-Aminopyridin-2-Yl Esters NOVO NORDISK A/S (DK) 2008-09-18 US disclosed
EP-1853585-A1 3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID 5-AMINOPYRIDIN-2-YL ESTERS Novo Nordisk A/S (DK) 2007-11-14 EP disclosed
WO-2006087309-A1 3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID 5-AMINOPYRIDIN-2-YL ESTERS NOVO NORDISK A/S (DK) 2006-08-24 WO disclosed
US-6608064-B2 A pyrido(1,2-a)pyrazine compound PFIZER INC 2003-08-19 US disclosed
US-20010034347-A1 Pharmaceutical agents for the treatment of parkinson's disease, ADHD and microadenomas MCLEAN STAFFORD (US) 2001-10-25 US disclosed
US-6300329-B1 HETEROCYCLIC PYRIDO(1,2-A)PYRAZINE COMPOUNDS FOR TREATMENT OF PARKINSON'S DISEASE PFIZER PRODUCTS INC. 2001-10-09 US disclosed
EP-1115402-A1 PHARMACEUTICAL AGENTS FOR THE TREATMENT OF PARKINSON'S DISEASE, ADHD AND MICROADENOMAS Pfizer Products Inc. (US) 2001-07-18 EP disclosed
WO-1992000074-A2 PYRIDOPYRAZINE DERIVATIVES FOR TREATING SUBSTANCE ABUSE AND ADDICTION PFIZER INC. (US) 1992-01-09 WO disclosed
EP-0395312-A2 Piperazine derivatives JOHN WYETH & BROTHER LIMITED (GB) 1990-10-31 EP disclosed
EP-0380217-A1 Bis-aza-bicyclic anxiolytic agents and antidepressants PFIZER INC. (US) 1990-08-01 EP disclosed
WO-1990008148-A1 BIS-AZA-BICYCLIC ANXIOLYTIC AGENTS PFIZER INC. (US) 1990-07-26 WO disclosed
WO-1990008144-A1 BIS-AZA-BICYCLIC ANXIOLYTIC AGENTS PFIZER INC. (US) 1990-07-26 WO disclosed
WO-1990006303-A1 ARYLPIPERIDINE DERIVATIVES PFIZER INC. (US) 1990-06-14 WO disclosed
EP-0372776-A2 Arylpiperidine derivatives PFIZER INC. (US) 1990-06-13 EP 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-20010034347-A1 Pharmaceutical agents for the treatment of parkinson's disease, ADHD and microadenomas MAOB, MAOA, COMT SMN1; SMN2 695/4885PIK3CD 201/4885PIK3CA 217/4885
US-20080227792-A1 3,4-Dihydro-1H-Isoquinoline-2-Carboxylic Acid 5-Aminopyridin-2-Yl Esters LIPE, LIPC, PNLIP SMN1; SMN2 2519/4885PIK3CD 1887/4885PIK3CA 1390/4885

“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.