SCHEMBL1509554

SCHEMBL1509554

CN1CCN(CCc2ccc(N)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.70
SIGMAR1 Q99720 6/20 0.65
CYP1A2 P05177 2/20 0.57
CYP2D6 P10635 2/20 0.57
TMEM97 Q5BJF2 1/20 0.57
HRH3 Q9Y5N1 2/20 0.52
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
THPO P40225 1/20 0.50
MTOR P42345 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KCNJ1 P48048 1/20 0.50

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
SCHEMBL1509508 0.89 SIGMAR1 (0.71) LMNASIGMAR1KCNJ1
SCHEMBL2234644 0.87 SIGMAR1 (0.63) LMNASIGMAR1CYP1A2CYP2D6HRH3
SCHEMBL1877934 0.84 HRH3 (0.68) SIGMAR1CYP1A2HRH3ALDH1A1CYP3A4
SCHEMBL5651768 0.84 SIGMAR1 (0.64) SIGMAR1CYP1A2CYP2D6HRH3ALDH1A1
Hydrochloric Acid SCHEMBL27472773 0.83 CA2 (0.60) LMNASIGMAR1CYP1A2CYP2D6TMEM97
SCHEMBL4754639 0.83 SIGMAR1 (0.63) LMNASIGMAR1CYP1A2CYP2D6HRH3
SCHEMBL2762024 0.82 HRH3 (0.71) SIGMAR1CYP1A2HRH3ALDH1A1CYP3A4
SCHEMBL55983 0.82 LMNA (1.00) LMNAHRH3ALDH1A1MAPTKDM4E
SCHEMBL2761916 0.82 HRH3 (0.71) SIGMAR1CYP1A2HRH3ALDH1A1CYP3A4
SCHEMBL12880035 0.82 HRH3 (0.75) SIGMAR1CYP1A2CYP2D6TMEM97HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7427625-B2 Substituted thiatriazaacenaphthylene-6-carbonitrile kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2008-09-23 US claimed
US-20070225309-A1 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 US claimed
US-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2004-05-13 US claimed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-9802937-B2 Substituted pyrazolo{4,3-D}pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-10-31 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
EP-2585470-B1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO LTD (KR) 2017-01-25 EP disclosed
US-9499535-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2016-11-22 US disclosed
EP-2699572-B1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2016-08-10 EP disclosed
US-6921767-B2 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION (US) 2005-07-26 US disclosed
US-20050107374-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-05-19 US disclosed
WO-2005042505-A1 THIOZOLIDINONES, PRODUCTION AND USE THEREOF AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-05-12 WO disclosed
WO-2005042518-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2005-05-12 WO disclosed
US-6855710-B2 Substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-15 US disclosed
US-20050026914-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-02-03 US disclosed
US-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2004-05-13 US disclosed
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-25 US disclosed
EP-1115704-B1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA (DE) 2003-06-18 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 (8 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-20050026914-A1 Substituted heterocyclic compounds and methods of use NFATC1, ICOS, BET1 LMNA 4524/4885SIGMAR1 4745/4885CYP1A2 1697/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK LMNA 3015/4885SIGMAR1 4550/4885CYP1A2 3832/4885
US-20070225309-A1 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS MAP3K11, MAP3K6, MAP4K2 LMNA 2852/4885SIGMAR1 4454/4885CYP1A2 2005/4885
US-20050107374-A1 Substituted heterocyclic compounds and methods of use ICOS, CD4, HLA-DRB1 LMNA 4131/4885SIGMAR1 4561/4885CYP1A2 1373/4885
US-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives ITGA5, ITGB5, ITGB3 LMNA 3139/4885SIGMAR1 605/4885CYP1A2 3826/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK LMNA 3115/4885SIGMAR1 4627/4885CYP1A2 3709/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK LMNA 3115/4885SIGMAR1 4627/4885CYP1A2 3709/4885
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs CDK1, CDK2, CDK3 LMNA 2720/4885SIGMAR1 1450/4885CYP1A2 1122/4885

“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.