SCHEMBL292971

SCHEMBL292971

CC[C@@H]1C[C@@H]([C@H](O)COCc2ccccc2)OC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
CA1 P00915 3/20 0.42
PSMB11 A5LHX3 1/20 0.40
PSMD11 O00231 1/20 0.40
PSMD12 O00232 1/20 0.40
PSMD14 O00487 1/20 0.40
PSMA7 O14818 1/20 0.40
PSMD3 O43242 1/20 0.40
PSMC3 P17980 1/20 0.40
PSMB1 P20618 1/20 0.40
PSMA1 P25786 1/20 0.40
PSMA2 P25787 1/20 0.40
PSMA3 P25788 1/20 0.40
PSMA4 P25789 1/20 0.40
PSMB8 P28062 1/20 0.40
PSMB9 P28065 1/20 0.40
PSMA5 P28066 1/20 0.40
PSMB4 P28070 1/20 0.40

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
SCHEMBL293552 0.91 HTT (0.42) HTTCYP3A4ALOX15CA1PSMB11
SCHEMBL293554 0.91 HTT (0.42) HTTCYP3A4ALOX15CA1PSMB11
SCHEMBL292079 0.89 HTT (0.46) HTTCYP3A4ALOX15CA1PSMB11
SCHEMBL8154874 0.86 HTT (0.46) HTTCYP3A4ALOX15CA1PSMB11
SCHEMBL292574 0.86 HTT (0.46) HTTCYP3A4ALOX15CA1PSMB11
SCHEMBL3975545 0.83 HTT (0.44) HTTCYP3A4ALOX15CA1PSMB11
SCHEMBL4746758 0.83 HTT (0.44) HTTCYP3A4ALOX15CA1PSMB11
SCHEMBL292938 0.81 HTT (0.41) HTTCYP3A4ALOX15CA1PSMB11
SCHEMBL7958700 0.74 ALDH1A1 (0.32) TACR1
SCHEMBL14895058 0.74 HTT (0.44) HTTCYP3A4ALOX15CA1CA2

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 635/4885CYP3A4 469/4885ALOX15 789/4885

“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.