SCHEMBL8082196

SCHEMBL8082196

CN1CCN(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.62
▸ MAPT P10636 6/20 0.60
▸ KDM4E B2RXH2 4/20 0.60
▸ GAA P10253 1/20 0.60
▸ HPGD P15428 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ DGAT1 O75907 1/20 0.56
▸ SOAT1 P35610 1/20 0.56
▸ KCNH2 Q12809 1/20 0.56
▸ LMNA P02545 2/20 0.56
▸ ABL1 P00519 1/20 0.56
▸ POLB P06746 1/20 0.54
▸ SMO Q99835 1/20 0.54
▸ DRD4 P21917 1/20 0.54
▸ GRM2 Q14416 1/20 0.54

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
SCHEMBL18656568 0.94 KDM4E (0.60) SMN1; SMN2MAPTKDM4EGAAHPGD
SCHEMBL2733014 0.85 SMN1; SMN2 (0.50) SMN1; SMN2MAPTKDM4EGAAHPGD
SCHEMBL23207522 0.84 KDM4E (0.62) SMN1; SMN2MAPTKDM4EGAAHPGD
SCHEMBL2733659 0.84 MAPT (0.59) SMN1; SMN2MAPTKDM4EGAAHPGD
SCHEMBL16238574 0.83 KDM4E (0.60) SMN1; SMN2MAPTKDM4EGAAHPGD
SCHEMBL30582921 0.83 KDM4E (0.60) SMN1; SMN2MAPTKDM4EGAAHPGD
SCHEMBL14417584 0.83 HRH3 (0.64) SMN1; SMN2MAPTKDM4EGAAHPGD
SCHEMBL12668912 0.83 SMN1; SMN2 (0.62) SMN1; SMN2MAPTKDM4EGAAHPGD
SCHEMBL18436092 0.82 OGA (0.54) SMN1; SMN2MAPTKDM4EHPGDALDH1A1
SCHEMBL886818 0.81 KDM4E (0.57) SMN1; SMN2MAPTKDM4EGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820767-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection UNIVERSITY OF NOTRE DAME DU LAC (US) 2023-11-21 — — US disclosed
WO-2023006013-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF 上海齐鲁制药研究中心有限公司 2023-02-02 — — WO disclosed
WO-2021130723-A1 NOVEL COMPOUNDS SUITABLE FOR THE TREATMENT OF DYSLIPIDEMIA CADILA HEALTHCARE LIMITED (IN) 2021-07-01 — — WO disclosed
US-20190161499-A1 PESTICIDALLY ACTIVE 1,2,4-TRIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2019-05-30 — — US disclosed
US-9820488-B2 Compounds for the control of endoparasites ELANCO TIERGESUNDHEIT AG (CH) 2017-11-21 — — US disclosed
EP-2476682-B1 8-OXODIHYDROPURINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2017-04-26 — — EP disclosed
WO-2017049321-A1 BENZYL AMINE-CONTAINING HETEROCYCLIC COMPOUNDS AND COMPOSITIONS USEFUL AGAINST MYCOBACTERIAL INFECTION MILLER MARVIN J (US) 2017-03-23 — — WO disclosed
US-20160251335-A1 NEW COMPOUNDS ELANCO TIERGESUNDHEIT AG (CH) 2016-09-01 — — US disclosed
WO-2015071417-A1 New Compounds NOVARTIS TIERGESUNDHEIT AG (CH) 2015-05-21 — — WO disclosed
US-8877745-B2 CCR2 receptor antagonists, method for producing the same, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 — — US disclosed
US-20130123241-A1 NOVEL CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-16 — — US disclosed
US-8404713-B2 Quinolinone derivatives as PARP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-03-26 — — US disclosed
US-8404713-B2 Quinolinone derivatives as PARP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-03-26 — — US disclosed
US-20120172347-A1 8-OXODIHYDROPURINE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-05 — — US disclosed
US-20120172347-A1 8-OXODIHYDROPURINE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-05 — — US disclosed
US-20100222348-A1 QUINOLINONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-09-02 — — US disclosed
US-20100222348-A1 QUINOLINONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-09-02 — — US disclosed
WO-2009053373-A1 QUINOLINONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-30 — — WO disclosed
EP-1950199-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-30 — — EP disclosed
US-7273881-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 — — US 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 (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-20190161499-A1 PESTICIDALLY ACTIVE 1,2,4-TRIAZOLE DERIVATIVES ACHE, AADAC, ATL3 SMN1; SMN2 2530/4885MAPT 3176/4885KDM4E 1505/4885
US-11820767-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection BET1, BRD4, BRD3 SMN1; SMN2 3362/4885MAPT 2175/4885KDM4E 2503/4885
US-20160251335-A1 NEW COMPOUNDS DDT, ACHE, PTMS SMN1; SMN2 2502/4885MAPT 3774/4885KDM4E 2413/4885
US-20120172347-A1 8-OXODIHYDROPURINE DERIVATIVE FAAH, FAAH2, TPMT SMN1; SMN2 2425/4885MAPT 2670/4885KDM4E 1314/4885
US-20130123241-A1 NOVEL CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS CCR2, CXCR2, CYSLTR2 SMN1; SMN2 4140/4885MAPT 4717/4885KDM4E 4749/4885
US-20100222348-A1 QUINOLINONE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP11 SMN1; SMN2 2658/4885MAPT 2742/4885KDM4E 1008/4885

“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.

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