SCHEMBL179932

SCHEMBL179932

C1=C(N2CCCC2)[N]CC1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.33
ALDH1A1 P00352 3/20 0.31
TSHR P16473 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
GFER P55789 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
USP2 O75604 1/20 0.31
INMT O95050 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
HPGD P15428 1/20 0.31
KEAP1 Q14145 1/20 0.30
LMNA P02545 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL9082734 0.98 USP2 (0.34) CHKAALDH1A1TSHRKDM4EMAPT
SCHEMBL3352088 0.95
SCHEMBL6050860 0.69
SCHEMBL5503657 0.67
SCHEMBL14941610 0.60 HPGD (0.38) CHKAALDH1A1TSHRKDM4EMAPT
SCHEMBL14420557 0.56
SCHEMBL4910246 0.56
SCHEMBL7961010 0.56 HPGD (0.34) CHKAALDH1A1TSHRKDM4EMAPT
SCHEMBL497532 0.55 MAPT (0.38) CHKAALDH1A1MAPTHPGDLMNA
SCHEMBL1157246 0.55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116253642-B Cannabidiol prodrug, and pharmaceutical composition and application thereof 山东绿叶制药有限公司 2024-07-09 CN disclosed
WO-2024003906-A1 CANNABINOID DERIVATIVES AND COMPOSITIONS COMPRISING SAME CANNASOUL ANALYTICS LTD. (IL) 2024-01-04 WO disclosed
US-20230372915-A1 MANGANESE BASED COMPLEXES AND USES THEREOF FOR HOMOGENEOUS CATALYSIS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2023-11-23 US disclosed
EP-3188832-B1 RUTHENIUM COMPLEXES AND THEIR USES AS CATALYSTS IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND RELATED REACTIONS YEDA RES & DEV (IL) 2023-10-04 EP disclosed
US-11731116-B2 Manganese based complexes and uses thereof for homogeneous catalysis YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2023-08-22 US disclosed
CN-116264834-A Use of hydroxy purines for the treatment of skin disorders 广东众生睿创生物科技有限公司 2023-06-16 CN disclosed
CN-116253642-A Cannabidiol prodrug, and pharmaceutical composition and application thereof 山东绿叶制药有限公司 2023-06-13 CN disclosed
WO-2023084516-A1 NOVEL CANNABINOID DERIVATIVES CANNASOUL ANALYTICS LTD. (IL) 2023-05-19 WO disclosed
US-20230139910-A1 COMPOSITIONS AND METHODS FOR TREATING MALARIA UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2023-05-04 US disclosed
WO-2023062633-A1 PROCESS FOR THE PREPARATION OF A SALBUTAMOL INTERMEDIATE YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2023-04-20 WO disclosed
WO-2007133705-A2 SILOLE-BASED POLYMERS AND SEMICONDUCTOR MATERIALS PREPARED FROM THE SAME NORTHWESTERN UNIVERSITY (US) 2007-11-22 WO disclosed
WO-2007066336-A2 CHEMICAL DERIVATIVES OF JASMONATE, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2007-06-14 WO disclosed
WO-2007066337-A2 JASMONATE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF SEPAL PHARMA LTD. (IL) 2007-06-14 WO disclosed
EP-1794145-A1 PYRAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-06-13 EP disclosed
WO-2006090377-A1 ONE-POT NON-SYMMETRIC HETEROBIFUNCTIONAL COUPLING OF ORGANIC MOLECULES THROUGH MALONIC ACID DERIVATIVES YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2006-08-31 WO disclosed
US-20060148850-A1 4-{'3-(Sulfonylamino) phenyl!'1-(cyclymethyl) piperidin-4-ylidene! methyl}benazmide derivativess as delta opioid receptor ligands for the treatment of pain, anxiety and functional gastrointestinal disorder ASTRAZENECA AB (SE) 2006-07-06 US disclosed
WO-2006032851-A1 PYRAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-03-30 WO disclosed
WO-2005007634-A1 3-HYDROXY-4-OXO-1,2,3-TRIAZINES AND DERIVATIVES THEREOF FOR AMIDE AND ESTER BOND FORMATION FRUTAROM LTD. (IL) 2005-01-27 WO disclosed
US-20040039200-A1 Pirazino(AZA)indole derivatives VERNALIS RESEARCH LIMITED 2004-02-26 US disclosed
WO-1996040753-A1 PIPECOLIC ACID DERIVATIVES OF PROLINE THREONINE AMIDES USEFUL FOR THE TREATMENT OF RHEUMATOID ARTHRITIS G.D. SEARLE & CO. (US) 1996-12-19 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 (5 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-20060148850-A1 4-{'3-(Sulfonylamino) phenyl!'1-(cyclymethyl) piperidin-4-ylidene! methyl}benazmide derivativess as delta opioid receptor ligands for the treatment of pain, anxiety and functional gastrointestinal disorder OPRD1, OPRK1, OPRM1 CHKA 2231/4885ALDH1A1 684/4885TSHR 339/4885
US-20230372915-A1 MANGANESE BASED COMPLEXES AND USES THEREOF FOR HOMOGENEOUS CATALYSIS ADH1C, OTC, MLEC CHKA 1342/4885ALDH1A1 1959/4885TSHR 2757/4885
US-20040039200-A1 Pirazino(AZA)indole derivatives PIR, GPR119, INMT CHKA 3248/4885ALDH1A1 452/4885TSHR 440/4885
US-20230139910-A1 COMPOSITIONS AND METHODS FOR TREATING MALARIA G6PD, QDPR, FASN CHKA 216/4885ALDH1A1 1569/4885TSHR 2400/4885
US-11731116-B2 Manganese based complexes and uses thereof for homogeneous catalysis ADH1C, OTC, ADH5 CHKA 1173/4885ALDH1A1 2176/4885TSHR 2543/4885

“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.