SCHEMBL422052

SCHEMBL422052

CN[C@]1(CO)CCCOC1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 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
SCHEMBL25091475 0.88
Hydrochloric Acid SCHEMBL19031032 0.88 EPHX1 (0.34) EPHX1
SCHEMBL17780178 0.78
SCHEMBL7120999 0.77
SCHEMBL422018 0.75
SCHEMBL420704 0.75
SCHEMBL420729 0.74 DPP4 (0.37) EPHX1
SCHEMBL419801 0.73 DPP4 (0.34)
SCHEMBL420711 0.73 DPP4 (0.34)
SCHEMBL421003 0.73 DPP4 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9879025-B2 Transfer hydrogenation of cyclopamine analogs INFINITY PHARMACEUTICALS, INC. (US) 2018-01-30 US disclosed
US-20170029433-A1 TRANSFER HYDROGENATION OF CYCLOPAMINE ANALOGS ROYALTY SECURITY, LLC 2017-02-02 US disclosed
US-9394313-B2 Transfer hydrogenation of cyclopamine analogs INFINITY PHARMACEUTICALS, INC. (US) 2016-07-19 US disclosed
US-9376447-B2 Transfer hydrogenation of cyclopamine analogs INFINITY PHARMACEUTICALS, INC. (US) 2016-06-28 US disclosed
US-20120065400-A1 Transfer Hydrogenation of Cyclopamine Analogs INFINITY PHARMACEUTICALS, INC. (US) 2012-03-15 US disclosed
US-20120065399-A1 Transfer Hydrogenation of Cyclopamine Analogs INFINITY PHARMACEUTICALS, INC. (US) 2012-03-15 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 (3 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-20120065400-A1 Transfer Hydrogenation of Cyclopamine Analogs HVCN1, KCNQ4, KCNQ5 EPHX1 3510/4885
US-20120065399-A1 Transfer Hydrogenation of Cyclopamine Analogs HVCN1, KCNQ4, KCNQ5 EPHX1 3510/4885
US-20170029433-A1 TRANSFER HYDROGENATION OF CYCLOPAMINE ANALOGS HVCN1, KCNQ4, KCNQ5 EPHX1 3510/4885

“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.