SCHEMBL1678736

SCHEMBL1678736

CCCCCC(CCCC)[N]C(CCCC)CCCCC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.46
OPRM1 P35372 1/20 0.43
CA2 P00918 1/20 0.43
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.39
CA1 P00915 1/20 0.39
TSHR P16473 1/20 0.39
THRB P10828 1/20 0.39
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
FDPS P14324 4/20 0.37
GPR84 Q9NQS5 2/20 0.36

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
SCHEMBL1679013 0.94 DNM1 (0.43) DNM1OPRM1CA2LMNACA1
SCHEMBL277798 0.89 LMNA (0.42) DNM1OPRM1CA2LMNAMAPT
SCHEMBL1678595 0.88 DNM1 (0.39) DNM1OPRM1CA2LMNACA1
SCHEMBL278027 0.86 OPRM1 (0.42) DNM1OPRM1CA2LMNAMAPT
SCHEMBL5932293 0.82 ALDH1A1 (0.40) DNM1CA2LMNACA1TSHR
SCHEMBL1678451 0.78 CA2 (0.45) DNM1OPRM1CA2LMNAMAPT
SCHEMBL15178203 0.78 CA2 (0.45) DNM1OPRM1CA2LMNAMAPT
SCHEMBL21217020 0.78 DNM1 (0.42) DNM1OPRM1CA2LMNACA1
SCHEMBL7529986 0.78 CA2 (0.45) DNM1OPRM1CA2LMNAMAPT
SCHEMBL7868793 0.76 CA2 (0.48) DNM1CA2LMNAMAPTCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7923573-B2 Benzene compound having 2 or more substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-12 US disclosed
US-20080255111-A1 Tissue Factor Production Inhibitor SANKYO COMPANY LIMITED (JP) 2008-10-16 US disclosed
US-20080004301-A1 Benzene Compound Having 2 or More Substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-01-03 US disclosed
EP-1806332-A1 BENZENE COMPOUND HAVING 2 OR MORE SUBSTITUENTS Daiichi Sankyo Company, Limited (JP) 2007-07-11 EP disclosed
EP-1764075-A1 TISSUE FACTOR PRODUCTION INHIBITOR Sankyo Company, Limited (JP) 2007-03-21 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 (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-20080255111-A1 Tissue Factor Production Inhibitor PTAFR, PLAT, TFPI DNM1 4685/4885OPRM1 3314/4885CA2 4718/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 DNM1 4261/4885OPRM1 994/4885CA2 4239/4885

“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.