SCHEMBL172997

SCHEMBL172997

CN(C)CC(C)(C)CC(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL227850 0.79 CYP3A4 (0.34) CYP3A4CYP2D6CYP2C19
SCHEMBL24092262 0.77 TSHR (0.30)
SCHEMBL22432533 0.77 ALDH1A1 (0.33)
SCHEMBL14671505 0.77 CYP3A4 (0.32) CYP3A4CYP2D6CYP2C19
SCHEMBL27328891 0.75 CYP3A4 (0.32) CYP3A4CYP2D6CYP2C19
SCHEMBL12653710 0.75
SCHEMBL25132581 0.75
SCHEMBL74342 0.72
SCHEMBL736531 0.71
SCHEMBL20000809 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230383204-A1 HEAT ACTIVATED DETERGENTS, FUELS INCLUDING SUCH DETERGENTS AND METHODS OF USE ExxonMobil Technology and Engineering Company 2023-11-30 US disclosed
WO-2023053016-A1 IONIZABLE CATIONIC COMPOUND Seqirus Inc. (US) 2023-04-06 WO disclosed
US-20220016082-A1 COMBINATION THERAPIES FOR HIGH AND VERY HIGH RISK MDS MEI PHARMA, INC. 2022-01-20 US disclosed
US-20210100775-A1 COMBINATION THERAPIES MEI PHARMA, INC. 2021-04-08 US disclosed
WO-2021012717-A1 ANTITUMOR COMPOUND USED AS AXL INHIBITOR AND USE THEREOF 南京华威医药科技集团有限公司 2021-01-28 WO disclosed
EP-3165561-B1 RAPID CURING THIOL EPOXY RESIN WITH IMPROVED COMPRESSION STRENGTH PERFORMANCE BOEING CO (US) 2021-01-13 EP disclosed
US-10570246-B2 Rapid curing thiol epoxy resin with improved compression strength performance THE BOEING COMPANY (US) 2020-02-25 US disclosed
US-10035873-B2 Rapid curing thiol epoxy resin with improved compression strength performance THE BOEING COMPANY (US) 2018-07-31 US disclosed
US-20170174822-A1 RAPID CURING THIOL EPOXY RESIN WITH IMPROVED COMPRESSION STRENGTH PERFORMANCE THE BOEING COMPANY 2017-06-22 US disclosed
US-9611375-B1 Rapid curing thiol epoxy resin with improved compression strength performance THE BOEING COMPANY (US) 2017-04-04 US disclosed
US-20070179129-A1 Opioid receptor antagonists ELI LILLY AND COMPANY 2007-08-02 US disclosed
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBVIE INC. 2007-07-05 US disclosed
US-20070155793-A1 4-(5-AMINOMETHYL)-INDOLE-1-YLMETHYL)-BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS OPIOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF OBESITY ELI LILLY AND COMPANY 2007-07-05 US disclosed
US-20070112036-A1 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2007-05-17 US disclosed
US-7202363-B2 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES (US) 2007-04-10 US disclosed
US-7196100-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2007-03-27 US disclosed
US-20070066658-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-03-22 US disclosed
US-20070021428-A1 Immunomodulating heterocyclic compounds AVIDEX LIMITED (GB) 2007-01-25 US disclosed
US-20070021428-A1 Immunomodulating heterocyclic compounds AVIDEX LIMITED (GB) 2007-01-25 US disclosed
US-20070010558-A1 Opioid receptor antagonists ELI LILLY AND COMPANY PATENT DIVISION (US) 2007-01-11 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 (9 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-20070155793-A1 4-(5-AMINOMETHYL)-INDOLE-1-YLMETHYL)-BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS OPIOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF OBESITY OPRM1, OPRD1, OPRK1 CYP3A4 297/4885CYP2D6 461/4885CYP2C19 403/4885
US-20070112036-A1 Opioid receptor antagonists OPRM1, OPRD1, OPRK1 CYP3A4 922/4885CYP2D6 619/4885CYP2C19 1471/4885
US-20220016082-A1 COMBINATION THERAPIES FOR HIGH AND VERY HIGH RISK MDS DNMT3A, TET2, HDAC8 CYP3A4 1876/4885CYP2D6 2464/4885CYP2C19 2343/4885
US-20210100775-A1 COMBINATION THERAPIES DDIT3, MCL1, ERCC2 CYP3A4 3477/4885CYP2D6 3577/4885CYP2C19 4380/4885
US-20070066658-A1 OPIOID RECEPTOR ANTAGONISTS OPRD1, OPRM1, OPRK1 CYP3A4 940/4885CYP2D6 320/4885CYP2C19 1159/4885
US-20070179129-A1 Opioid receptor antagonists OPRK1, OPRM1, OPRL1 CYP3A4 1333/4885CYP2D6 216/4885CYP2C19 1532/4885
US-20070021428-A1 Immunomodulating heterocyclic compounds CD40, CD40LG, NGFR CYP3A4 2109/4885CYP2D6 730/4885CYP2C19 2422/4885
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK CYP3A4 1935/4885CYP2D6 1684/4885CYP2C19 1127/4885
US-20070010558-A1 Opioid receptor antagonists OPRM1, OPRK1, OPRL1 CYP3A4 769/4885CYP2D6 413/4885CYP2C19 1168/4885

“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.