SCHEMBL9923655

SCHEMBL9923655

c1nn(CC2CCCC2)c2c1CNC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
LMNA P02545 1/20 0.39
NPBWR1 P48145 1/20 0.36
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
GRM2 Q14416 2/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33
HRH4 Q9H3N8 3/20 0.33
HTR3A P46098 1/20 0.33
CHRM5 P08912 1/20 0.32
ADRA2C P18825 1/20 0.32
CRHR1 P34998 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
PDE10A Q9Y233 2/20 0.31
KAT2B Q92831 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
SCHEMBL14937263 0.93 PKM (0.38) PKMLMNACRHR1
SCHEMBL12440133 0.75 PKM (0.47) PKMLMNANPBWR1ADORA2AADORA1
SCHEMBL31651623 0.74 DRD2 (0.35) LMNA
SCHEMBL38654031 0.74 PDE10A (0.36) PKMCRHR1PDE10A
Hydrochloric Acid SCHEMBL31652076 0.73 DRD2 (0.34)
SCHEMBL8105760 0.70 HDAC9 (0.33) PDE10A
SCHEMBL38653385 0.70 PDE10A (0.37) PDE10A
SCHEMBL17213862 0.68
SCHEMBL18756714 0.68
SCHEMBL16058867 0.67 ALOX15 (0.34) PKMMEN1MAPTKMT2A

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-9403790-B2 Aminotetrahydropyrans as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2016-08-02 US disclosed
US-20160137622-A1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME LLC 2016-05-19 US disclosed
US-9278976-B2 Aminotetrahydropyrans as dipeptidyl peptidase-IV inhibitors for the treatment of diabetes MERCK SHARP & DOHME CORP. (US) 2016-03-08 US disclosed
US-20150344487-A1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES MERCK SHARP & DOHME LLC 2015-12-03 US disclosed
US-9138426-B2 Aminotetrahydropyrans as dipeptidyl peptidase-IV inhibitors for the treatment of diabetes MERCK SHARP & DOHME CORP. (US) 2015-09-22 US disclosed
US-20150126443-A1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES MERCK SHARP & DOHME LLC 2015-05-07 US disclosed
US-8951965-B2 Aminotetrahydropyrans as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2015-02-10 US disclosed
US-20140287993-A1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME LLC 2014-09-25 US disclosed
US-8772328-B2 Aminotetrahydropyrans as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2014-07-08 US disclosed
US-20140051740-A1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME CORP. (US) 2014-02-20 US disclosed
US-20130157940-A1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME CORP (US) 2013-06-20 US disclosed
US-8415297-B2 Aminotetrahydropyrans as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2013-04-09 US disclosed
US-20120149637-A1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME LLC 2012-06-14 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-20150126443-A1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES DPP4, DPP3, DPP7 PKM 2098/4885LMNA 4144/4885NPBWR1 1219/4885
US-20130157940-A1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES DPP4, DPP3, DPP7 PKM 2163/4885LMNA 3938/4885NPBWR1 1222/4885
US-20150344487-A1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES DPP4, DPP3, DPP7 PKM 2098/4885LMNA 4144/4885NPBWR1 1219/4885
US-20140287993-A1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES DPP4, DPP3, DPP7 PKM 2163/4885LMNA 3938/4885NPBWR1 1222/4885
US-20140051740-A1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES DPP4, DPP3, DPP7 PKM 2163/4885LMNA 3938/4885NPBWR1 1222/4885
US-20120149637-A1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES DPP4, DPP3, DPP7 PKM 2163/4885LMNA 3938/4885NPBWR1 1222/4885
US-20160137622-A1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES DPP4, DPP3, DPP7 PKM 2163/4885LMNA 3938/4885NPBWR1 1222/4885

“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.