SCHEMBL7852604

SCHEMBL7852604

[c]1cc(C2CCCC2)[nH]n1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.36
HCAR2 Q8TDS4 1/20 0.35
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
CSF1R P07333 1/20 0.30
NPY5R Q15761 1/20 0.30

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
SCHEMBL7845292 0.98 DAO (0.38) DAOHCAR2ALDH1A1LMNAPOLB
SCHEMBL7843969 0.98 DAO (0.38) DAOHCAR2ALDH1A1LMNAPOLB
SCHEMBL7854141 0.98 DAO (0.38) DAOHCAR2ALDH1A1LMNAPOLB
SCHEMBL7853278 0.95
SCHEMBL57387 0.91
SCHEMBL7845712 0.67 DAO (0.35) DAOHCAR2NPY5R
SCHEMBL7854908 0.65 DAO (0.37) DAOHCAR2ALDH1A1CSF1RNPY5R
SCHEMBL7853188 0.65 DAO (0.37) DAOHCAR2ALDH1A1CSF1RNPY5R
SCHEMBL7846261 0.65 DAO (0.37) DAOHCAR2ALDH1A1CSF1RNPY5R
SCHEMBL17571909 0.64 HSD11B1 (0.43) DAOHCAR2NPY5R

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-9422267-B2 Fused pyrimidine compounds and use thereof MEDIVATION TECHNOLOGIES, INC. (US) 2016-08-23 US claimed
US-20140179668-A1 FUSED PYRIMIDINE COMPOUNDS AND USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2014-06-26 US claimed
US-9499519-B2 Fused pyrimidine compounds and use thereof MEDIVATION TECHNOLOGIES, INC. (US) 2016-11-22 US disclosed
US-9422267-B2 Fused pyrimidine compounds and use thereof MEDIVATION TECHNOLOGIES, INC. (US) 2016-08-23 US disclosed
US-20160068513-A1 FUSED PYRIMIDINE COMPOUNDS AND USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2016-03-10 US disclosed
US-20140286943-A1 CYCLOPROPYL MODULATORS OF P2Y12 RECEPTOR AUSPEX PHARMACEUTICALS INC (US) 2014-09-25 US disclosed
WO-2014105958-A2 FUSED PYRIMIDINE COMPOUNDS AND USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2014-07-03 WO disclosed
US-20140179668-A1 FUSED PYRIMIDINE COMPOUNDS AND USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2014-06-26 US disclosed
EP-0719258-B1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMA CO LTD (JP) 2001-10-31 EP disclosed
US-5786367-A OXYGEN SCAVENGERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-07-28 US disclosed
CN-1130377-A Cyclic amide derivatives OTSUKA PHARMA CO LTD (JP) 1996-09-04 CN disclosed
EP-0719258-A1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-07-03 EP disclosed
WO-1996002508-A1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-02-01 WO 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 (3 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-20160068513-A1 FUSED PYRIMIDINE COMPOUNDS AND USE THEREOF IGF1R, FGFR3, FGFR1 DAO 2894/4885HCAR2 1309/4885ALDH1A1 3567/4885
US-20140179668-A1 FUSED PYRIMIDINE COMPOUNDS AND USE THEREOF IGF1R, IPMK, IP6K2 DAO 1991/4885HCAR2 2374/4885ALDH1A1 3068/4885
US-20140286943-A1 CYCLOPROPYL MODULATORS OF P2Y12 RECEPTOR P2RY12, P2RY11, P2RY2 DAO 3850/4885HCAR2 176/4885ALDH1A1 2782/4885

“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.