SCHEMBL5454532

SCHEMBL5454532

C=CCOC(=O)N1CCC(C(=O)O)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
GAA P10253 1/20 0.46
ALDH1A1 P00352 2/20 0.41
CYP2C19 P33261 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
CHRM1 P11229 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 2/20 0.38
PKM P14618 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL8797679 0.93 RAB9A (0.48) SMN1; SMN2RAB9ANPC1GAAALDH1A1
SCHEMBL9381176 0.90 SMN1; SMN2 (0.44) SMN1; SMN2RAB9ANPC1GAAALDH1A1
SCHEMBL9381172 0.90 SMN1; SMN2 (0.44) SMN1; SMN2RAB9ANPC1GAAALDH1A1
SCHEMBL9389295 0.90 SMN1; SMN2 (0.44) SMN1; SMN2RAB9ANPC1GAAALDH1A1
SCHEMBL8797508 0.85 GAA (0.45) SMN1; SMN2RAB9ANPC1GAAALDH1A1
SCHEMBL18056303 0.85 GAA (0.49) SMN1; SMN2RAB9ANPC1GAAALDH1A1
SCHEMBL9386410 0.83 RAB9A (0.36) SMN1; SMN2RAB9ANPC1GAAALDH1A1
SCHEMBL3248801 0.83 GPR119 (0.42) SMN1; SMN2RAB9ANPC1GAAALDH1A1
SCHEMBL9388775 0.83 GAA (0.50) SMN1; SMN2RAB9ANPC1GAAALDH1A1
SCHEMBL30677893 0.83 GAA (0.52) SMN1; SMN2RAB9ANPC1GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7294636-B2 Chemical compounds ASTRAZENECA AB (SE) 2007-11-13 US disclosed
US-20070015788-A1 N-(3-Aryl-3-substitutedphenylpropyl) piperidines or 8-azabicyclo[3.2.1]octanes that are additionally substituted with an optionally fused 5-member N-heterocycle; the compounds are modulators of CCR5 receptor activity and are used in treating diseases such as rheumatoid arthritis ASTRAZENECA AB (SE) 2007-01-18 US disclosed
EP-1625120-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2006-02-15 EP disclosed
WO-2004099178-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-11-18 WO disclosed
US-6531466-B2 E.g., a 1-aza-10-(1-hydroxyethyl-11-oxo-4-(het-methylene)-tricyclo(7.2 .0.0(3,8))undec-2-ene-2-carboxylate; good activity against grampositive bacteria such as methicillin-resistant Staphylococcus aureus and epidermidis GLAXOSMITHKLINE SPA (IT) 2003-03-11 US disclosed
EP-0937078-B1 TRICYCLIC CARBAPENEM COMPOUNDS GLAXOSMITHKLINE SPA (IT) 2003-02-12 EP disclosed
US-20010047094-A1 Tricyclic carbapenem compounds GLAXO WELLCOME SPA 2001-11-29 US disclosed
EP-0937078-A1 TRICYCLIC CARBAPENEM COMPOUNDS GLAXO WELLCOME S.p.A. (IT) 1999-08-25 EP disclosed
WO-1998021210-A1 TRICYCLIC CARBAPENEM COMPOUNDS GLAXO WELLCOME S.P.A. (IT) 1998-05-22 WO disclosed
US-5693807-A Substituted hydroquinone derivatives CIBA-GEIGY CORPORATION (US) 1997-12-02 US disclosed
EP-0394991-B1 1-Azabicyclo(3.2.0)Hept-2-Ene-2-carboxylic acid compounds FUJISAWA PHARMACEUTICAL CO (JP) 1994-08-17 EP disclosed
CN-1089253-A The hydroquinone derivatives that replaces CIBA GEIGY AG (CH) 1994-07-13 CN disclosed
US-5290939-A Process for the manufacture of brofaromine and analogs thereof CIBA-GEIGY CORPORATION (US) 1994-03-01 US disclosed
US-5102877-A Carbapenicillin antibiotics FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-07 US disclosed
EP-0394991-A1 1-Azabicyclo(3.2.0)Hept-2-Ene-2-carboxylic acid compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-10-31 EP disclosed
US-4743598-A Antibacterial 2-(azacycloalkyl) penems SCHERING CORPORATION (US) 1988-05-10 US disclosed
EP-0109044-B1 PENEMS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, PROCESS FOR PREPARING THEM SCHERING CORPORATION (US) 1986-10-15 EP disclosed
EP-0109044-A1 Penems, pharmaceutical compositions containing them, process for preparing them SCHERING CORPORATION (US) 1984-05-23 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-20010047094-A1 Tricyclic carbapenem compounds OXA1L, GNE, MGAM SMN1; SMN2 711/4885RAB9A 3412/4885NPC1 3188/4885
US-20070015788-A1 N-(3-Aryl-3-substitutedphenylpropyl) piperidines or 8-azabicyclo[3.2.1]octanes that are additionally substituted with an optionally fused 5-member N-heterocycle; the compounds are modulators of CCR5 receptor activity and are used in treating diseases such as rheumatoid arthritis CCR5, CCR2, CX3CR1 SMN1; SMN2 3999/4885RAB9A 1597/4885NPC1 1307/4885

“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.