SCHEMBL5961386

SCHEMBL5961386

CN1CCCCC1CN1CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.68
CHRM5 P08912 1/20 0.52
ADRA2C P18825 1/20 0.52
ADRA2A P08913 1/20 0.44
HRH3 Q9Y5N1 2/20 0.41
ACHE P22303 1/20 0.41
HRH1 P35367 1/20 0.40
ARG1 P05089 1/20 0.39
ARG2 P78540 1/20 0.39
HTR6 P50406 3/20 0.39

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
SCHEMBL12568588 1.00 CYP1A2 (0.68) CYP1A2CHRM5ADRA2CADRA2AHRH3
SCHEMBL9927939 1.00 CYP1A2 (0.68) CYP1A2CHRM5ADRA2CADRA2AHRH3
SCHEMBL12568584 1.00 CYP1A2 (0.68) CYP1A2CHRM5ADRA2CADRA2AHRH3
SCHEMBL12568590 0.98 CYP1A2 (0.64) CYP1A2CHRM5ADRA2CADRA2AHRH3
SCHEMBL9733679 0.98 CYP1A2 (0.64) CYP1A2CHRM5ADRA2CADRA2AHRH3
SCHEMBL6079950 0.96 CYP1A2 (0.62) CYP1A2CHRM5ADRA2CHRH3HTR6
SCHEMBL15314551 0.96 CYP1A2 (0.62) CYP1A2CHRM5ADRA2CADRA2AHRH3
SCHEMBL12568585 0.96 CYP1A2 (0.62) CYP1A2CHRM5ADRA2CHRH3HTR6
SCHEMBL9927921 0.96 CYP1A2 (0.62) CYP1A2CHRM5ADRA2CHRH3HTR6
SCHEMBL4718925 0.96 CYP1A2 (0.62) CYP1A2CHRM5ADRA2CHRH3HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1696912-B1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES CO (US) 2016-05-11 EP disclosed
US-9145410-B2 Pyrazolopyridines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-09-29 US disclosed
US-9145410-B2 Pyrazolopyridines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-09-29 US disclosed
US-20120149703-A1 AZA-SUBSTITUTED SPIRO DERIVATIVES JITSUOKA MAKOTO (JP) 2012-06-14 US disclosed
US-20120149703-A1 AZA-SUBSTITUTED SPIRO DERIVATIVES JITSUOKA MAKOTO (JP) 2012-06-14 US disclosed
US-20120121651-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES COMPANY 2012-05-17 US disclosed
US-20120121651-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES COMPANY 2012-05-17 US disclosed
US-8158791-B2 Aza-substituted spiro derivatives MSD K.K. (JP) 2012-04-17 US disclosed
US-8158791-B2 Aza-substituted spiro derivatives MSD K.K. (JP) 2012-04-17 US disclosed
US-7985764-B2 Amide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-07-26 US disclosed
US-20090075980-A1 Pyrazolopyridines and Analogs Thereof COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-03-19 US disclosed
US-20090075980-A1 Pyrazolopyridines and Analogs Thereof COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-03-19 US disclosed
US-20090062363-A1 AMIDE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-03-05 US disclosed
US-20090062363-A1 AMIDE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-03-05 US disclosed
EP-1988076-A1 AMIDE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-05 EP disclosed
EP-1953165-A1 AZA-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-08-06 EP disclosed
US-20080171753-A1 Carbamoyl-Substituted Spiro Derivative MSD K.K. (JP) 2008-07-17 US disclosed
US-7247756-B2 1,4-disubstituted benzenes as insecticides BAYER CROPSCIENCE AG (DE) 2007-07-24 US disclosed
US-7247756-B2 1,4-disubstituted benzenes as insecticides BAYER CROPSCIENCE AG (DE) 2007-07-24 US disclosed
EP-1795527-A1 CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-06-13 EP 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-20120149703-A1 AZA-SUBSTITUTED SPIRO DERIVATIVES AZI2, NR3C2, DNMT3A CYP1A2 333/4885CHRM5 190/4885ADRA2C 931/4885
US-20090075980-A1 Pyrazolopyridines and Analogs Thereof IL4, IL4I1, IL2 CYP1A2 453/4885CHRM5 1685/4885ADRA2C 445/4885
US-20090062363-A1 AMIDE DERIVATIVE OR SALT THEREOF HTR7, HTR2B, NPSR1 CYP1A2 2213/4885CHRM5 860/4885ADRA2C 236/4885
US-20120121651-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF IL4, IL4I1, IL2 CYP1A2 453/4885CHRM5 1685/4885ADRA2C 445/4885
US-20080171753-A1 Carbamoyl-Substituted Spiro Derivative HRH3, HRH4, HRH2 CYP1A2 3205/4885CHRM5 36/4885ADRA2C 605/4885

“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.