SCHEMBL7604498

SCHEMBL7604498

COCC(C)COCc1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AGXT P21549 2/20 0.44
KCNH2 Q12809 2/20 0.42
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 1/20 0.38
MAOB P27338 1/20 0.38
TACR1 P25103 5/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HCRTR2 O43614 1/20 0.35
IDO1 P14902 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL1013889 0.84 IDO1 (0.42) CA1CA2MAOBTACR1KMT2A
SCHEMBL556155 0.84 IDO1 (0.42) CA1CA2MAOBTACR1KMT2A
SCHEMBL7863791 0.83 TSHR (0.52) CA1CA2CA9TACR1KMT2A
SCHEMBL4545488 0.83 TSHR (0.52) CA1CA2CA9TACR1KMT2A
SCHEMBL14866839 0.83 AGXT (0.45) AGXTKCNH2CA1CA2CA9
SCHEMBL13002270 0.83 TSHR (0.52) CA1CA2CA9TACR1KMT2A
SCHEMBL12361734 0.81 AGXT (0.44) AGXTKCNH2CA1CA2CA9
SCHEMBL13168184 0.81 IDO1 (0.37) CA1CA2CA9TACR1KMT2A
SCHEMBL10202405 0.81 APP (0.41) CA1CA2TACR1KMT2ANPC1
SCHEMBL8263617 0.80 AGXT (0.50) AGXTKCNH2CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 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 (2 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-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 AGXT 2315/4885KCNH2 340/4885CA1 1036/4885
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 AGXT 1353/4885KCNH2 438/4885CA1 769/4885

“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.