SCHEMBL20043231

SCHEMBL20043231

CC(C)(C)[C@@H]1CCCN(C(C)(C)C)CC1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.34
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL2732106 1.00 CYP2D6 (0.34) CYP2D6KCNH2HRH3
SCHEMBL18531920 0.95 CYP2D6 (0.32) CYP2D6KCNH2HRH3
SCHEMBL20685148 0.93 CYP2D6 (0.33) CYP2D6KCNH2HRH3
SCHEMBL19197834 0.91 EPHX1 (0.33) CYP2D6KCNH2HRH3
SCHEMBL2706991 0.91 CYP2D6 (0.38) CYP2D6KCNH2HRH3
SCHEMBL20685173 0.89 EPHX1 (0.36) CYP2D6KCNH2HRH3
SCHEMBL18460259 0.89 EPHX1 (0.36) CYP2D6KCNH2HRH3
SCHEMBL12210956 0.83 CYP2D6 (0.33) CYP2D6KCNH2HRH3
SCHEMBL24347883 0.82 CYP2D6 (0.34) CYP2D6KCNH2HRH3
SCHEMBL2614325 0.82

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-20180099949-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-04-12 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-20180099949-A1 PYRROLIDINE GPR40 MODULATORS GPR55, GPR65, GPR4 CYP2D6 1569/4885KCNH2 2972/4885HRH3 549/4885

“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.