SCHEMBL46703

SCHEMBL46703

CN1CCC(N(C)C)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.42
HTR2A P28223 10/20 0.41
HTR2C P28335 10/20 0.41
NCF1 P14598 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL10202192 0.90 L3MBTL3 (0.37) L3MBTL3HTR2AHTR2CNCF1L3MBTL1
SCHEMBL18843591 0.86 L3MBTL3 (0.45) L3MBTL3HTR2AHTR2CNCF1L3MBTL1
SCHEMBL172592 0.83
SCHEMBL172541 0.83
SCHEMBL81996 0.83
SCHEMBL8442130 0.82 HTR2A (0.41) HTR2AHTR2CNCF1L3MBTL1MEN1
SCHEMBL24319367 0.81 NCF1 (0.42) NCF1KDM4EALDH1A1
SCHEMBL17888490 0.80 HTR2A (0.40) HTR2AHTR2CNCF1L3MBTL1MEN1
N-Methyl Pyrrolidine (Nmp) SCHEMBL9782767 0.79 ADH1C (0.38) L3MBTL3HTR2AHTR2CL3MBTL1ALDH1A1
SCHEMBL20614488 0.79 NCF1 (0.42) HTR2AHTR2CNCF1L3MBTL1MEN1

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 1191 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2768891-B1 FIBRE REINFORCED POLYISOCYANURATE COMPONENT AND METHOD FOR ITS PRODUCTION COVESTRO DEUTSCHLAND AG (DE) 2018-08-08 EP claimed
US-20160288377-A1 METHOD FOR PRODUCING COMPOSITE COMPONENTS COVESTRO DEUTSCHLAND AG (DE) 2016-10-06 US claimed
EP-2920220-A1 METHOD FOR PRODUCING COMPOSITE COMPONENTS Bayer Materialscience AG (DE) 2015-09-23 EP claimed
CN-104768993-A Method for producing composite components BAYER MATERIALSCIENCE AG 2015-07-08 CN claimed
US-20150125703-A1 FIBER-REINFORCED POLYISOCYANURATE COMPONENT AND A METHOD FOR PRODUCTION THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-07 US claimed
EP-2768891-A1 FIBRE-REINFORCED POLYISOCYANURATE COMPONENT AND A METHOD FOR PRODUCTION THEREOF Bayer Intellectual Property GmbH (DE) 2014-08-27 EP claimed
CN-103890059-A FIBRE-REINFORCED POLYISOCYANURATE COMPONENT AND A METHOD FOR PRODUCTION THEREOF BAYER IP GMBH 2014-06-25 CN claimed
US-20140171431-A1 AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCES (CN) 2014-06-19 US claimed
WO-2014076022-A1 METHOD FOR PRODUCING COMPOSITE COMPONENTS BAYER MATERIALSCIENCE AG (DE) 2014-05-22 WO claimed
EP-2725024-A1 AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2014-04-30 EP claimed
US-20050124654-A1 Compounds and methods of use AMGEN INC. 2005-06-09 US claimed
WO-2005021533-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2005-03-10 WO claimed
US-20050054670-A1 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use AMGEN INC. 2005-03-10 US claimed
WO-2005021532-A1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2005-03-10 WO claimed
US-20050049253-A1 Substituted quinolinone derivatives and methods of use AMGEN INC. 2005-03-03 US claimed
US-20050014749-A1 analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects AMGEN INC. 2005-01-20 US claimed
WO-2004092164-A1 CYCLIC AMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATION-RELATED DISORDERS MEDIATED BY BRADYKININ AMGEN, INC. (US) 2004-10-28 WO claimed
US-20040209892-A1 Heterocyclic compounds and methods of use U.S. PATENT OPERATIONS 2004-10-21 US claimed
WO-2004085425-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC (US) 2004-10-07 WO claimed
US-5977102-A INHIBITORY EFFECT ON SIGNAL TRANSDUCTION MEDIATED BY TYROSINE KINASES OR EPIDERMAL GROWTH FACTOR; ANTITUMOR,-CARCINOGENIC, -METASTASIS,-PROLIFERATION AGENTS AND -INFLAMMATORY AGENTS; PSORIASIS; ANGIOGENESIS INHIBITORS; IMMUNOLOGY; DR. KARL THOMAE GMBH (DE) 1999-11-02 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20050124654-A1 Compounds and methods of use LTC4S, PTGES, LTB4R2 L3MBTL3 2540/4885HTR2A 2028/4885HTR2C 1475/4885
US-20140171431-A1 AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE PLA2G5, LTA4H, PLA2G4A L3MBTL3 4850/4885HTR2A 2578/4885HTR2C 2105/4885
US-20050049253-A1 Substituted quinolinone derivatives and methods of use NQO1, NQO2, UGT1A1 L3MBTL3 3444/4885HTR2A 2463/4885HTR2C 2194/4885
US-20040209892-A1 Heterocyclic compounds and methods of use VHL, NQO1, HPGDS L3MBTL3 2820/4885HTR2A 3297/4885HTR2C 2453/4885
US-20050054670-A1 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use VHL, DPYD, UGT1A1 L3MBTL3 2161/4885HTR2A 3196/4885HTR2C 2739/4885
US-20050014749-A1 analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects ACHE, TNF, BCHE L3MBTL3 2661/4885HTR2A 2228/4885HTR2C 2748/4885

“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.