SCHEMBL197940

SCHEMBL197940

NC1(C(=O)O)CCc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
MAPT P10636 2/20 0.61
CYP2C19 P33261 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
ALDH1A1 P00352 1/20 0.61
POLB P06746 1/20 0.61
BLM P54132 1/20 0.61
GRM1 Q13255 1/20 0.61
MEN1 O00255 1/20 0.61
MAPK1 P28482 1/20 0.61
KMT2A Q03164 1/20 0.61
CYP1A2 P05177 1/20 0.56
ALOX15 P16050 1/20 0.56
GRM2 Q14416 1/20 0.56
HDAC9 Q9UKV0 1/20 0.47
HCAR2 Q8TDS4 1/20 0.45
KDM1A O60341 2/20 0.44
MAOB P27338 1/20 0.44
RAD52 P43351 1/20 0.43
TSHR P16473 1/20 0.40

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
SCHEMBL197942 1.00 KDM4E (0.61) KDM4EMAPTCYP2C19TDP1ALDH1A1
SCHEMBL197941 1.00 KDM4E (0.61) KDM4EMAPTCYP2C19TDP1ALDH1A1
SCHEMBL29380732 1.00 KDM4E (0.61) KDM4EMAPTCYP2C19TDP1ALDH1A1
Hydrochloric Acid SCHEMBL4835592 0.98 KDM4E (0.59) KDM4EMAPTCYP2C19TDP1ALDH1A1
Hydrochloric Acid SCHEMBL17604963 0.98 KDM4E (0.59) KDM4EMAPTCYP2C19TDP1ALDH1A1
Hydrochloric Acid SCHEMBL4835584 0.98 KDM4E (0.59) KDM4EMAPTCYP2C19TDP1ALDH1A1
SCHEMBL60004 0.89 RAD52 (0.55) KDM4EMAPTCYP2C19TDP1ALDH1A1
Hydrochloric Acid SCHEMBL11149959 0.88 RAD52 (0.53) KDM4EMAPTCYP2C19TDP1ALDH1A1
SCHEMBL29677121 0.85 KDM4E (0.45) KDM4EMAPTCYP2C19TDP1ALDH1A1
SCHEMBL5310777 0.85 KDM4E (0.45) KDM4EMAPTCYP2C19TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088890-B2 Peptides and peptidomimetic compounds, the manufacturing thereof as well as their use for preparing a therapeutically and/or preventively active pharmaceutical composition FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2012-01-03 US claimed
EP-2328925-A1 PEPTIDES AND PEPTIDOMIMETIC COMPOUNDS, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION Fibrex Medical Research & Development GmbH (AT) 2011-06-08 EP claimed
EP-2274328-A1 PEPTIDES, PEPTIDOMIMETICS AND DERIVATIVES THEREOF, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION Fibrex Medical Research & Development GmbH (AT) 2011-01-19 EP claimed
JP-4511835-B2 2010-07-28 JP claimed
US-20100099843-A1 DOLASTATIN 15 DERIVATIVES ABBOTT GMBH & CO. KG (DE) 2010-04-22 US claimed
WO-2010043444-A2 PHARMACEUTICAL PREPARATION FOR THE TREATMENT AND/OR PREVENTION OF ISCHEMIA/REPERFUSION INJURY AND THE SEQUELS THEREOF FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2010-04-22 WO claimed
WO-2010034041-A1 PEPTIDES AND PEPTIDOMIMETIC COMPOUNDS, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2010-04-01 WO claimed
US-20100081787-A1 PEPTIDES AND PEPTIDOMIMETIC COMPOUNDS, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2010-04-01 US claimed
WO-2009137850-A1 PEPTIDES, PEPTIDOMIMETICS AND DERIVATIVES THEREOF, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2009-11-19 WO claimed
CN-100413882-C Linear basic compounds having NK-2 antagonistic activity and formulations thereof MENARINI RICERCHE SPA (IT) 2008-08-27 CN claimed
EP-1442050-B1 LINEAR BASIC COMPOUNDS HAVING NK-2 ANTAGONIST ACTIVITY AND FORMULATIONS THEREOF MALESCI SAS (IT) 2006-09-13 EP claimed
CN-1777601-A Nk-2 antagonist basic linear compounds and formulations containing them MENARINI RICERCHE SPA (IT) 2006-05-24 CN claimed
EP-1620432-A1 NK-2 ANTAGONIST BASIC LINEAR COMPOUNDS AND FORMULATIONS CONTAINING THEM Menarini Ricerche S.p.A. (IT) 2006-02-01 EP claimed
CN-1578786-A Linear basic compounds having NK-2 antagonistic activity and formulations thereof MENARINI RICERCHE SPA (IT) 2005-02-09 CN claimed
US-20040259930-A1 Linear basic compounds having nk-2 antagonist activity and formulations thereof MALESCI INSTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2004-12-23 US claimed
WO-2004094412-A1 NK-2 ANTAGONIST BASIC LINEAR COMPOUNDS AND FORMULATIONS CONTAINING THEM MENARINI RICERCHE S.P.A. (IT) 2004-11-04 WO claimed
EP-1442050-A2 LINEAR BASIC COMPOUNDS HAVING NK-2 ANTAGONIST ACTIVITY AND FORMULATIONS THEREOF MALESCI ISTITUTO FARMACOBIOLOGICO S.p.A. (IT) 2004-08-04 EP claimed
US-20040122013-A1 Analogs of nocicettin ITALFARMACO SPA (IT) 2004-06-24 US claimed
EP-1422240-A2 Analogs of nociceptin ITALFARMACO S.p.A. (IT) 2004-05-26 EP claimed
WO-2003037916-A2 LINEAR BASIC COMPOUNDS HAVING NK-2 ANTAGONIST ACTIVITY AND FORMULATIONS THEREOF MALESCI ISTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2003-05-08 WO 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 (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-20100099843-A1 DOLASTATIN 15 DERIVATIVES DDOST, DBI, DAO KDM4E 2695/4885MAPT 4570/4885CYP2C19 1236/4885
US-20100081787-A1 PEPTIDES AND PEPTIDOMIMETIC COMPOUNDS, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION NGLY1, GHRHR, GHSR KDM4E 4174/4885MAPT 4398/4885CYP2C19 2945/4885
US-20040259930-A1 Linear basic compounds having nk-2 antagonist activity and formulations thereof BDKRB2, BDKRB1, TACR2 KDM4E 3285/4885MAPT 4098/4885CYP2C19 1602/4885

“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.