SCHEMBL292938

SCHEMBL292938

O=C1O[C@H]([C@H](O)COCc2ccccc2)C[C@H]1C1CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.37
TACR1 P25103 2/20 0.36
PSMB11 A5LHX3 1/20 0.36
PSMD11 O00231 1/20 0.36
PSMD12 O00232 1/20 0.36
PSMD14 O00487 1/20 0.36
PSMA7 O14818 1/20 0.36
PSMD3 O43242 1/20 0.36
PSMC3 P17980 1/20 0.36
PSMB1 P20618 1/20 0.36
PSMA1 P25786 1/20 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
SCHEMBL292574 0.84 HTT (0.46) HTTCA1CA2CA7CA9
SCHEMBL8154874 0.84 HTT (0.46) HTTCA1CA2CA7CA9
SCHEMBL292669 0.81 LMNA (0.34) HTTCYP3A4ALOX15MAPK1POLB
SCHEMBL3975545 0.81 HTT (0.44) HTTCA1CA2CA7CA9
SCHEMBL4746758 0.81 HTT (0.44) HTTCA1CA2CA7CA9
SCHEMBL292971 0.81 HTT (0.44) HTTCA1CA2CA7CA9
SCHEMBL292079 0.80 HTT (0.46) HTTCA1CA2CA7CA9
SCHEMBL293552 0.79 HTT (0.42) HTTCA1CA2CA7CA9
SCHEMBL293554 0.79 HTT (0.42) HTTCA1CA2CA7CA9
SCHEMBL14895058 0.74 HTT (0.44) HTTCA1CA2CA7CA9

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-8158790-B2 Cyclic amine compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-04-17 US disclosed
EP-2036896-B1 CYCLIC AMINE COMPOUND DAIICHI SANKYO CO LTD (JP) 2012-03-14 EP disclosed
US-20090286807-A1 CYCLIC AMINE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-11-19 US disclosed
EP-2036896-A1 CYCLIC AMINE COMPOUND Daiichi Sankyo Company, Limited (JP) 2009-03-18 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-20090286807-A1 CYCLIC AMINE COMPOUND HRH3, HRH4, H1-0 HTT 635/4885CA1 4685/4885CA2 2321/4885

“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.