SCHEMBL5035936

SCHEMBL5035936

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

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.59
L3MBTL1 Q9Y468 3/20 0.54
THRB P10828 1/20 0.54
ATM Q13315 1/20 0.54
ALDH1A1 P00352 4/20 0.51
NOS3 P29474 1/20 0.51
NOS2 P35228 1/20 0.51
CHRM1 P11229 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 2/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PKM P14618 1/20 0.47
TP53 P04637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 1/20 0.46
RECQL P46063 1/20 0.46
KDM4E B2RXH2 1/20 0.45
BRD4 O60885 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
SCHEMBL9425764 0.93 GAA (0.53) GAAL3MBTL1THRBATMALDH1A1
SCHEMBL14964741 0.85 CHRM1 (0.59) GAAL3MBTL1THRBATMALDH1A1
SCHEMBL21944817 0.85 CHRM1 (0.59) GAAL3MBTL1THRBATMALDH1A1
SCHEMBL4631015 0.85 GAA (0.59) GAAL3MBTL1THRBATMALDH1A1
SCHEMBL4441606 0.85 LMNA (0.56) GAAL3MBTL1THRBATMALDH1A1
SCHEMBL23041797 0.84 GAA (0.62) GAAL3MBTL1THRBATMALDH1A1
SCHEMBL18933177 0.83 GAA (0.41) GAAL3MBTL1THRBATMALDH1A1
SCHEMBL5310934 0.83 RAB9A (0.47) GAAL3MBTL1THRBATMALDH1A1
SCHEMBL18933102 0.82 GAA (0.41) GAAL3MBTL1THRBATMALDH1A1
SCHEMBL30674449 0.81 EPHX1 (0.42) GAAL3MBTL1THRBATMALDH1A1

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
CN-114773256-B Synthesis method of 4-cyano piperidine 中国农业大学 2024-05-03 CN disclosed
CN-114773256-A Synthetic method of 4-cyanopiperidine 中国农业大学 2022-07-22 CN disclosed
EP-3150578-B1 NOVEL PYRROLIDINE COMPOUND AND APPLICATION AS MELANOCORTIN RECEPTOR AGONIST MITSUBISHI TANABE PHARMA CORP (JP) 2020-10-14 EP disclosed
EP-2758389-B1 PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2017-06-07 EP disclosed
EP-3150578-A1 NOVEL PYRROLIDINE COMPOUND AND APPLICATION AS MELANOCORTIN RECEPTOR AGONIST Mitsubishi Tanabe Pharma Corporation (JP) 2017-04-05 EP disclosed
EP-0812321-B1 PROKINETIC OXADIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2008-01-23 EP disclosed
EP-0892802-B1 SPIRO(CYCLOPENT(B)INDOLE-PIPERIDINES) AND N-PHENYL-HYDRAZON INTERMEDIATES FOR THEIR PREPARATION, BOTH BEING ACETYLCHOLINESTERASE AND MAO INHIBITORS AVENTIS PHARMA INC (US) 2003-10-22 EP disclosed
US-6479501-B2 COGNITION ACTIVATORS; ANTIDEPRESSANTS AVENTIS PHARMACEUTICALS INC. 2002-11-12 US disclosed
US-20020004601-A1 Spiro[cyclopent[b]indole-piperidines] HOECHST MARION ROUSSEL, INC. 2002-01-10 US disclosed
US-6229014-B1 8-AZASPIRO(4.5)DECANE-1-ONE; ANTIDEPRESSANTS AND TREATMENT OF PSYCHOLIGICAL DISORDERS, SPECIFICALLY MEMORY LOSS HOECHST MARION ROUSSEL, INC. (FR) 2001-05-08 US disclosed
US-6156901-A Spiro[cyclopent[b]indole-piperidines] HOECHST MARION ROUSSEL, INC. (US) 2000-12-05 US disclosed
US-5986097-A ENANTIOMORPHS, COGNITION ACTIVATORS, AZHEIMER'S DISEASE AND ENZYME INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-11-16 US disclosed
EP-0892802-A1 SPIRO(CYCLOPENT(B)INDOLE-PIPERIDINES) AND N-PHENYL-HYDRAZON INTERMEDIATES FOR THEIR PREPARATION, BOTH BEING ACETYLCHOLINESTERASE AND MAO INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-01-27 EP disclosed
US-5854261-A Prokinetic compounds JANSSEN PHARMACEUTICA N.V. (BE) 1998-12-29 US disclosed
US-5756743-A USEFUL IN TREATING MEMORY DYSFUNCTION AND DEPRESSION HOECHST MARION ROUSSEL INC. (US) 1998-05-26 US disclosed
EP-0812321-A1 PROKINETIC OXADIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 1997-12-17 EP disclosed
WO-1997037992-A2 SPIRO[CYCLOPENT[B]INDOLE-PIPERIDINES] AND N-PHENYL-HYDRAZON INTERMEDIATES FOR THEIR PREPARATION, BOTH BEING ACETYLCHOLINESTERASE AND MAO INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1997-10-16 WO disclosed
WO-1996026937-A1 PROKINETIC OXADIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 1996-09-06 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-20020004601-A1 Spiro[cyclopent[b]indole-piperidines] CAMK2B, GRIN2B, HTR2B GAA 4234/4885L3MBTL1 3519/4885THRB 121/4885

“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.