SCHEMBL5212656

SCHEMBL5212656

O=CNCCc1cccc(OCc2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 8/20 0.65
CYP2D6 P10635 1/20 0.60
CYP4F2 P78329 1/20 0.59
CYP4A11 Q02928 1/20 0.59
MAOB P27338 3/20 0.57
MAOA P21397 1/20 0.57
CCNB2 O95067 1/20 0.52
CDK1 P06493 1/20 0.52
CDK4 P11802 1/20 0.52
CCNB1 P14635 1/20 0.52
CCND1 P24385 1/20 0.52
CCNB3 Q8WWL7 1/20 0.52
MGLL Q99685 1/20 0.51
FFAR1 O14842 1/20 0.50

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
SCHEMBL12396481 0.85 BCHE (0.68) BCHEFFAR1
SCHEMBL18383719 0.83 CYP4F2 (0.64) BCHECYP2D6CYP4F2CYP4A11MAOB
SCHEMBL13477505 0.83 PPARA (0.58) CYP2D6FFAR1
SCHEMBL21473721 0.81 SLC2A1 (0.60) BCHECYP2D6FFAR1
SCHEMBL2473241 0.80 CHRM2 (0.66) BCHE
SCHEMBL5215124 0.80 BCHE (0.66) BCHECYP2D6CYP4F2CYP4A11MAOB
SCHEMBL17210775 0.80 CYP4F2 (0.69) BCHECYP2D6CYP4F2CYP4A11MAOB
SCHEMBL2749630 0.79 CYP4F2 (0.63) BCHECYP2D6CYP4F2CYP4A11MAOB
SCHEMBL15890882 0.79 CYP2D6 (0.66) BCHECYP2D6CYP4F2CYP4A11MAOB
SCHEMBL29683508 0.79 BCHE (0.64) BCHECYP2D6CYP4F2CYP4A11MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205302-B2 Anticoagulants; antilipemic agents; cardiovascular disorders NIPPON SHINYAKU CO., LTD. (JP) 2007-04-17 US disclosed
EP-1400518-B1 HETEROCYCLIC COMPOUND DERIVATIVES AND MEDICINES NIPPON SHINYAKU CO LTD (JP) 2007-01-17 EP disclosed
US-20040102436-A1 Heterocyclic compound derivatives and medicines NIPPON SHINYAKU CO., LTD. (JP) 2004-05-27 US disclosed
EP-1400518-A1 HETEROCYCLIC COMPOUND DERIVATIVES AND MEDICINES Nippon Shinyaku Co., Ltd. (JP) 2004-03-24 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 (1 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-20040102436-A1 Heterocyclic compound derivatives and medicines CNR2, CNR1, GPR55 BCHE 2630/4885CYP2D6 594/4885CYP4F2 859/4885

“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.