SCHEMBL2736674

SCHEMBL2736674

CC1CCN(C(=O)C2CCCCC2)CC1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.72
TSHR P16473 3/20 0.72
SMN1; SMN2 Q16637 2/20 0.62
HSD11B1 P28845 4/20 0.59
LMNA P02545 1/20 0.59
HPGD P15428 2/20 0.59
RECQL P46063 1/20 0.52
HSD11B2 P80365 1/20 0.50
GAA P10253 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PTPN1 P18031 1/20 0.47

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
SCHEMBL13301267 0.98 ALDH1A1 (0.68) ALDH1A1TSHRSMN1; SMN2HSD11B1LMNA
SCHEMBL13783342 0.94 ALDH1A1 (0.61) ALDH1A1TSHRSMN1; SMN2HSD11B1LMNA
SCHEMBL10039301 0.89 HPGD (0.60) ALDH1A1TSHRSMN1; SMN2HSD11B1LMNA
SCHEMBL14197780 0.88 ALDH1A1 (0.61) ALDH1A1TSHRSMN1; SMN2HSD11B1LMNA
SCHEMBL24480430 0.87 HPGD (0.58) ALDH1A1TSHRSMN1; SMN2HSD11B1LMNA
SCHEMBL21087637 0.86 HPGD (0.63) ALDH1A1TSHRSMN1; SMN2HSD11B1LMNA
SCHEMBL8056381 0.86 ALDH1A1 (0.57) ALDH1A1TSHRSMN1; SMN2HSD11B1LMNA
SCHEMBL21087795 0.86 ALDH1A1 (0.57) ALDH1A1TSHRSMN1; SMN2HSD11B1LMNA
SCHEMBL14068466 0.86 ALDH1A1 (0.57) ALDH1A1TSHRSMN1; SMN2HSD11B1LMNA
SCHEMBL10559542 0.84 ALDH1A1 (1.00) ALDH1A1TSHRSMN1; SMN2HSD11B1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2775839-B1 METHODS FOR ASSESSING REPELLANT QUALITY OF ORGANIC MATERIALS AND METHODS AND COMPOSITIONS FOR REPELLING ARTHROPODS UNIV CALIFORNIA (US) 2023-12-06 EP disclosed
WO-2021253954-A1 ANALGESIC 安徽恒星制药有限公司 2021-12-23 WO disclosed
WO-2017172596-A1 PYRROLOTRIAZINE COMPOUNDS AS TAM INHIBITORS INCYTE CORPORATION (US) 2017-10-05 WO disclosed
US-20170275290-A1 PYRROLOTRIAZINE COMPOUNDS AS TAM INHIBITORS INCYTE CORPORATION 2017-09-28 US disclosed
US-9181183-B2 Prostaglandin D synthase inhibitory piperidine compounds TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-11-10 US disclosed
US-9181183-B2 Prostaglandin D synthase inhibitory piperidine compounds TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-11-10 US disclosed
US-20130165438-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-27 US disclosed
US-20130165438-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-27 US disclosed
US-8088924-B2 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
US-8088924-B2 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
EP-1357111-B1 2-PYRIDONE DERIVATIVES HAVING AFFINITY FOR CANNABINOID TYPE 2 RECEPTOR SHIONOGI & CO (JP) 2009-08-05 EP disclosed
US-7557113-B2 Substituted pyrrolo[3,2-d]pyrimidine derivatives TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-7557113-B2 Substituted pyrrolo[3,2-d]pyrimidine derivatives TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 US disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 US disclosed
US-7358251-B2 N-sulfonylurea apoptosis promoters ABBOTT LABORATORIES (US) 2008-04-15 US disclosed
US-20070027144-A1 Novel use of cannabinoid receptor agonist SHIONOGI & CO., LTD. (JP) 2007-02-01 US disclosed
US-20070027144-A1 Novel use of cannabinoid receptor agonist SHIONOGI & CO., LTD. (JP) 2007-02-01 US disclosed
WO-2005012312-A1 NOVEL CYANO THIAZOLIDES, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-02-10 WO disclosed
WO-2005012308-A1 NOVEL CYANOPYRROLIDIDES, METHODS FOR THE PRODUCTION THEREOF, AND USE OF THE SAME AS MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-02-10 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 (4 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-20070027144-A1 Novel use of cannabinoid receptor agonist CNR2, CNR1, OPRM1 ALDH1A1 2784/4885TSHR 345/4885SMN1; SMN2 4206/4885
US-20170275290-A1 PYRROLOTRIAZINE COMPOUNDS AS TAM INHIBITORS MERTK, MAP3K15, MAP3K5 ALDH1A1 2279/4885TSHR 1014/4885SMN1; SMN2 4774/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 ALDH1A1 3580/4885TSHR 1644/4885SMN1; SMN2 3366/4885
US-20130165438-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS PTGIS, PTGS1, PTGDR ALDH1A1 157/4885TSHR 4163/4885SMN1; SMN2 4361/4885

“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.