SCHEMBL2982280

SCHEMBL2982280

c1cn(C2CC[N]CC2)nn1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.36
EPHX2 P34913 1/20 0.36
HCAR2 Q8TDS4 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
SCHEMBL12984443 0.86
SCHEMBL23743045 0.82
SCHEMBL17675657 0.82 EPHX1 (0.38) EPHX1EPHX2HCAR2
SCHEMBL20031997 0.80 EPHX1 (0.37) EPHX1EPHX2HCAR2
SCHEMBL20031998 0.80 EPHX1 (0.37) EPHX1EPHX2HCAR2
SCHEMBL5683395 0.80 EPHX1 (0.37) EPHX1EPHX2HCAR2
SCHEMBL20032245 0.80 EPHX1 (0.37) EPHX1EPHX2HCAR2
Ammonia Solution, Strong SCHEMBL27350163 0.80 EPHX1 (0.37) EPHX1EPHX2HCAR2
SCHEMBL135922 0.78 EPHX1 (0.36) EPHX1EPHX2HCAR2
SCHEMBL23921593 0.77 SMYD3 (0.36) EPHX1EPHX2HCAR2

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-20100173895-A1 IMIDAZOLOPYRIMIDINES AND IMIDAZOLOTRIAZINE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE(PARP) INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2010-07-08 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-20100173895-A1 IMIDAZOLOPYRIMIDINES AND IMIDAZOLOTRIAZINE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE(PARP) PARP1, PARP2, PARP15 EPHX1 3730/4885EPHX2 4312/4885HCAR2 2750/4885

“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.