SCHEMBL4924522

SCHEMBL4924522

CC(C)(C)OC(=O)N1CCCCN1C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CTSK P43235 2/20 0.48
CTSL P07711 2/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 1/20 0.46
HTR2C P28335 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CTSB P07858 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP2C19 P33261 1/20 0.45
PARP1 P09874 1/20 0.45
FKBP1A P62942 1/20 0.44

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
SCHEMBL420503 0.97 CTSK (0.51) MEN1KMT2ANPSR1CTSKCTSL
SCHEMBL13100989 0.89 MEN1 (0.56) MEN1KMT2ANPSR1NPC1RAB9A
SCHEMBL16612115 0.88 KMT2A (0.58) MEN1KMT2ANPSR1CTSKCTSL
SCHEMBL13101483 0.88 HTR2C (0.49) MEN1KMT2ANPSR1CTSLNPC1
SCHEMBL10189350 0.88 MEN1 (0.53) MEN1KMT2ANPSR1NPC1RAB9A
SCHEMBL4740593 0.87 NPC1 (0.43) MEN1KMT2ANPSR1CTSKNPC1
SCHEMBL4850529 0.85 HTR2C (0.45) MEN1KMT2ANPSR1NPC1RAB9A
SCHEMBL9354941 0.84 ALDH1A1 (0.53) MEN1KMT2ANPSR1CTSKCTSL
SCHEMBL7279646 0.84 KMT2A (0.54) MEN1KMT2ANPSR1CTSKCTSL
SCHEMBL4852434 0.84 HTR2C (0.47) MEN1KMT2ANPSR1CTSLNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 EP disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 EP disclosed
US-20040266871-A1 Methods for treating alzheimer's disease using quinaldoyl-amine derivatives of oxo-and hydroxy-substituted hydrocarbons PHARMACIA & UPJOHN 2004-12-30 US disclosed
EP-1423167-A1 METHOD FOR TREATING ALZHEIMER'S DISEASE USING QUINALDOYL-AMINE DERIVATIVES OF OXO- AND HYDROXY-SUBSTITUTED HYDROCARBONS Elan Pharmaceuticals, Inc. (US) 2004-06-02 EP disclosed
EP-0633881-B1 AMINE DERIVATIVES OF OXO- AND HYDROXY-SUBSTITUED HYDROCARBONS NARHEX LTD (HK) 2003-10-29 EP disclosed
WO-2003020370-A1 METHOD FOR TREATING ALZHEIMER'S DISEASE USING QUINALDOYL-AMINE DERIVATIVES OF OXO- AND HYDROXY-SUBSTITUTED HYDROCARBONS ELAN PHARMACEUTICALS, INC. (US) 2003-03-13 WO disclosed
US-6258806-B1 PEPTIDES WITH CYCLIC DIAZAALKANES FOR PREVENTION OF PREMATURE METABOLISM METHOD FOR INHIBITING AN HIV PROTEASE IN A MAMMAL IN NEED OF SUCH PROTEASE INHIBITION, COMPRISING ADMINISTERING TO SAID MAMMAL AN EFFECTIVE DOSAGE NARHEX LIMITED (HK) 2001-07-10 US disclosed
US-6069163-A SUBSTITUTED AZAPEPEPTIDE ACIDS ARE SUITABLE FOR USE IN THE TREATMENT OF ASTHMA, ALLERGIES, INFLAMMATION, MULTIPLE SCLEROSIS, AND OTHER INFLAMMATORY AND AUTOIMMUNE DISORDERS MERCK & CO., INC. (US) 2000-05-30 US disclosed
US-5942504-A INHIBITORS OF RETROVIRAL PROTEASES; TREATMENT OF AIDS AND HIV NARHEX LIMITED (HK) 1999-08-24 US disclosed
US-5679688-A RETROVIRAL PROTEASE INHIBITORS; AIDS THERAPY NARHEX LIMITED (HK) 1997-10-21 US disclosed
EP-0633881-A4 AMINE DERIVATIVES OF OXO- AND HYDROXY-SUBSTITUED HYDROCARBONS. 1995-02-22 EP disclosed
EP-0633881-A1 AMINE DERIVATIVES OF OXO- AND HYDROXY-SUBSTITUED HYDROCARBONS Narhex Limited (HK) 1995-01-18 EP disclosed
WO-1993018006-A1 AMINE DERIVATIVES OF OXO- AND HYDROXY-SUBSTITUED HYDROCARBONS NARHEX LIMITED (HK) 1993-09-16 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 (3 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-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 MEN1 3587/4885KMT2A 3446/4885NPSR1 1475/4885
US-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 MEN1 3847/4885KMT2A 1719/4885NPSR1 2850/4885
US-20040266871-A1 Methods for treating alzheimer's disease using quinaldoyl-amine derivatives of oxo-and hydroxy-substituted hydrocarbons BACE1, BACE2, PSEN1 MEN1 1653/4885KMT2A 1928/4885NPSR1 688/4885

“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.