SCHEMBL6794989

SCHEMBL6794989

O=C(O)Cc1ccc2c(c1)CCCC2=O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.60
MAOA P21397 6/20 0.56
MAOB P27338 6/20 0.56
PRKCI P41743 1/20 0.56
HSD17B1 P14061 1/20 0.50
BAZ2B Q9UIF8 1/20 0.50
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 1/20 0.48

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
SCHEMBL23162895 0.98 AKR1B1 (0.61) AKR1B1MAOAMAOBPRKCIHSD17B1
SCHEMBL4808780 0.90 AKR1B1 (0.68) AKR1B1HSD17B1
SCHEMBL1346675 0.87 AKR1B1 (0.52) AKR1B1MAOAMAOBPRKCIRXRA
SCHEMBL8790426 0.86 MAOA (0.54) MAOAMAOBPRKCIHSD17B1BAZ2B
SCHEMBL15897523 0.83 AKR1B1 (0.55) AKR1B1RXRARXRBRXRG
SCHEMBL17486940 0.81 MAOA (0.61) MAOAMAOBPRKCIHSD17B1BAZ2B
SCHEMBL5527444 0.81 RXRB (0.65) AKR1B1RXRARXRBRXRG
SCHEMBL19996854 0.81 RXRB (0.60) AKR1B1RXRARXRBRXRG
SCHEMBL9335049 0.81 NPC1 (0.52) MAOAMAOBPRKCI
SCHEMBL29521703 0.80 BAZ2B (0.50) MAOAMAOBPRKCIHSD17B1BAZ2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 US disclosed
EP-0817772-B1 PYRROLIDINYL HYDROXAMIC ACID COMPOUNDS AND THEIR PRODUCTION PROCESS PFIZER (US) 2003-01-29 EP disclosed
US-6110947-A AN ANALGESIC AGENT FOR TREATING STROKE, ABDOMINAL PAIN; AS ANTIINFLAMMATORY, DIURETIC, ANESTHETIC OR NEUROPROTECTIVE AGENTS PFIZER INC. (US) 2000-08-29 US disclosed
US-5952369-A ANALGESIC, TREATMENT FOR STROKE OR ABDOMINAL PAIN ASSOCIATED WITH FUNCTIONAL BOWEL DISEASE PFIZER INC (US) 1999-09-14 US disclosed
WO-1996030339-A1 PYRROLIDINYL HYDROXAMIC ACID COMPOUNDS AND THEIR PRODUCTION PROCESS PFIZER INC. (US) 1996-10-03 WO disclosed
US-5428042-A Analgesics, antiinflammatory agents DR LO ZAMBELETTI S.P.A. (IT) 1995-06-27 US disclosed
EP-0594611-A1 NOVEL 1-(2H-1-OXO-3,4-DIHYDRONAPHTYL-6)-ACETYL-PIPERIDINES, PROCESS FOR THEIR PREPARATION AND THERAPEUTIC USE Dr. Lo. Zambeletti S.p.A. (IT) 1994-05-04 EP disclosed
WO-1991017116-A1 NOVEL 1-(2H-1-OXO-3,4-DIHYDRONAPHTYL-6)-ACETYL-PIPERIDINES, PROCESS FOR THEIR PREPARATION AND THERAPEUTIC USE DR. LO. ZAMBELETTI S.P.A. (IT) 1991-11-14 WO disclosed
EP-0333315-B1 AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL USE Dr. Lo. Zambeletti S.p.A. (IT) 1991-06-12 EP disclosed
US-4994450-A Side effect reduction DR. LO. ZAMBELETTI S.P.A. (IT) 1991-02-19 US disclosed
EP-0333315-A1 Azacyclic compounds, processes for their preparation and their pharmaceutical use Dr. Lo. Zambeletti S.p.A. (IT) 1989-09-20 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 (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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 AKR1B1 2178/4885MAOA 2249/4885MAOB 1745/4885

“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.