SCHEMBL4479463

SCHEMBL4479463

[CH2]CCNCCC1CCC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
BCHE P06276 1/20 0.34
EPHX1 P07099 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
ADH7 P40394 1/20 0.32
CHRM2 P08172 3/20 0.31
CHRM1 P11229 3/20 0.31
CHRM3 P20309 3/20 0.31
CYP1A2 P05177 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
SCHEMBL5962273 0.95 SIGMAR1 (0.38) MAPTBCHEEPHX1SIGMAR1ADH1B
SCHEMBL4470765 0.93 SIGMAR1 (0.41) MAPTBCHEEPHX1SIGMAR1ADH1B
SCHEMBL4476289 0.90
SCHEMBL4485420 0.86 MAPT (0.42) MAPTBCHEEPHX1SIGMAR1ADH1B
SCHEMBL4476773 0.83
SCHEMBL6975542 0.82 SIGMAR1 (0.44) MAPTEPHX1SIGMAR1ADH1BADH1C
SCHEMBL4469305 0.82 SIGMAR1 (0.39) MAPTBCHEEPHX1SIGMAR1CHRM2
SCHEMBL4483483 0.80 SIGMAR1 (0.42) MAPTBCHEEPHX1SIGMAR1ADH1B
SCHEMBL6963964 0.80 SIGMAR1 (0.52) MAPTEPHX1SIGMAR1CYP1A2
SCHEMBL6973979 0.80 SIGMAR1 (0.47) BCHEEPHX1SIGMAR1ADH1BADH1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1717230-B1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE MSD KK (JP) 2014-08-06 EP disclosed
US-8268842-B2 Fused ring 4-oxopyrimidine derivative MSD K.K. (JP) 2012-09-18 US disclosed
US-20090209562-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-08-20 US disclosed
US-7521455-B2 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO. LTD. (JP) 2009-04-21 US disclosed
EP-1717230-A1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 EP disclosed
US-20050182045-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-18 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-20050182045-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 MAPT 3669/4885BCHE 1155/4885EPHX1 659/4885
US-20090209562-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 MAPT 3669/4885BCHE 1155/4885EPHX1 659/4885

“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.