SCHEMBL12417836

SCHEMBL12417836

CC(C)CC#Cc1ccc(C(C)C)s1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.32
HTR2A P28223 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
SCHEMBL17813780 0.83
SCHEMBL18943213 0.80 DPP4 (0.33) DPP4
SCHEMBL10121203 0.77 CNR1 (0.32)
SCHEMBL12394798 0.75 DPP4 (0.34) DPP4
SCHEMBL13722965 0.73 CYP2E1 (0.39) DPP4HTR2A
SCHEMBL13722953 0.73 DPP4 (0.39) DPP4
SCHEMBL13722910 0.70 HDAC1 (0.36) DPP4
SCHEMBL13722857 0.70 LTA4H (0.41) DPP4
SCHEMBL13722735 0.70 CNR1 (0.39) DPP4
SCHEMBL13618027 0.70 HDAC8 (0.38)

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170260173-A1 DIFLUOROLACTAM COMPOSITIONS FOR EP4-MEDIATED OSTEO RELATED DISEASES AND CONDTIONS MYOMETRICS, LLC (US) 2017-09-14 US disclosed
US-9701630-B2 Difluorolactam compositions for EP4-mediated osteo related diseases and conditions CAYMAN CHEMICAL COMPANY, INC. (US) 2017-07-11 US disclosed
US-9688627-B2 Lactam compounds as EP4 receptor-selective agonists for use in the treatment of EP4-mediated diseases and conditions CAYMAN CHEMICAL COMPANY, INC. (US) 2017-06-27 US disclosed
US-9676712-B2 Lactam compounds as EP4 receptor-selective agonists for use in the treatment of EP4-mediated diseases and conditions CAYMAN CHEMICAL COMPANY, INC. (US) 2017-06-13 US disclosed
US-20160340306-A1 DIFLUOROLACTAM COMPOSITIONS FOR EP4-MEDIATED OSTEO RELATED DISEASES AND CONDITIONS CAYMAN CHEMICAL COMPANY, INCORPORATED 2016-11-24 US disclosed
US-9440919-B2 Difluorolactam compositions for EP4-mediated osteo related diseases and conditions CAYMAN CHEMICAL COMPANY, INC. (US) 2016-09-13 US disclosed
US-20160158413-A1 METHODS, SYSTEMS, AND COMPOSITIONS FOR PROMOTING BONE GROWTH CAYMAN CHEMICAL COMPANY, INC. (US) 2016-06-09 US disclosed
US-20160060216-A1 LACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS CAYMAN CHEMICAL COMPANY, INCORPORATED 2016-03-03 US disclosed
US-20160031811-A1 LACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS CAYMAN CHEMICAL COMPANY, INCORPORATED 2016-02-04 US disclosed
US-9180116-B2 Difluorolactam compounds as EP4 receptor-selective agonists for use in the treatment of EP4-mediated diseases and conditions CAYMAN CHEMICAL COMPANY, INC. (US) 2015-11-10 US disclosed
US-20150175538-A1 DIFLUOROLACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS CAYMAN CHEMICAL COMPANY, INC. 2015-06-25 US disclosed
US-20150174099-A1 DIFLUOROLACTAM COMPOSITIONS FOR EP4-MEDIATED OSTEO RELATED DISEASES AND CONDITIONS CAYMAN CHEMICAL COMPANY, INCORPORATED 2015-06-25 US disclosed
US-20110172299-A1 THERAPEUTIC SUBSTITUTED CYCLOPENTANES ALLERGAN, INC. (US) 2011-07-14 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 (7 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-20110172299-A1 THERAPEUTIC SUBSTITUTED CYCLOPENTANES TUBB6, TUBB3, TUBB2A DPP4 919/4885HTR2A 1819/4885
US-20150175538-A1 DIFLUOROLACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS PTGER4, PTGER1, PTGER3 DPP4 821/4885HTR2A 592/4885
US-20160031811-A1 LACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS PTGER4, PTGER1, PTGER3 DPP4 1238/4885HTR2A 1087/4885
US-20150174099-A1 DIFLUOROLACTAM COMPOSITIONS FOR EP4-MEDIATED OSTEO RELATED DISEASES AND CONDITIONS PTGER4, PTGER1, PTGER3 DPP4 786/4885HTR2A 2502/4885
US-20170260173-A1 DIFLUOROLACTAM COMPOSITIONS FOR EP4-MEDIATED OSTEO RELATED DISEASES AND CONDTIONS PTGER4, PTGER1, EPB41 DPP4 1048/4885HTR2A 2975/4885
US-20160340306-A1 DIFLUOROLACTAM COMPOSITIONS FOR EP4-MEDIATED OSTEO RELATED DISEASES AND CONDITIONS PTGER4, PTGER1, PTGER3 DPP4 1027/4885HTR2A 2688/4885
US-20160060216-A1 LACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS PTGER4, PTGER1, PTGER3 DPP4 1117/4885HTR2A 1108/4885

“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.