SCHEMBL9950968

SCHEMBL9950968

Cc1nn(C)c(=O)cc1OC[C@@]1(c2ccccc2)C[C@H]1C=O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 17/20 0.41
HCRTR1 O43613 15/20 0.38
KCNH2 Q12809 1/20 0.34
BRD4 O60885 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL9950776 0.83 HCRTR2 (0.41) HCRTR2HCRTR1KCNH2
SCHEMBL9951026 0.83 HCRTR2 (0.49) HCRTR2HCRTR1KCNH2
SCHEMBL10188722 0.80 HCRTR2 (0.56) HCRTR2HCRTR1KCNH2ALDH1A1
SCHEMBL9950438 0.78 HCRTR2 (0.36) HCRTR2HCRTR1
SCHEMBL2118887 0.76 HCRTR1 (0.57) HCRTR2HCRTR1KCNH2
SCHEMBL9950436 0.75 HCRTR2 (0.36) HCRTR2HCRTR1KCNH2
SCHEMBL9950743 0.75 HCRTR2 (0.55) HCRTR2HCRTR1KCNH2
SCHEMBL10189062 0.73 HCRTR2 (0.70) HCRTR2HCRTR1KCNH2
SCHEMBL10189060 0.73 HCRTR2 (0.71) HCRTR2HCRTR1KCNH2
SCHEMBL9950717 0.72 HCRTR2 (0.54) HCRTR2HCRTR1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165339-A1 CYCLOPROPANE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-28 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 (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-20120165339-A1 CYCLOPROPANE DERIVATIVES HCRTR2, HCRTR1, CNR1 HCRTR2 1/4885HCRTR1 2/4885KCNH2 1409/4885

“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.