SCHEMBL21790666

SCHEMBL21790666

CCC(C)(C)NC1CCN(C(C)=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 13/20 0.50
EPHX1 P07099 4/20 0.47
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 0.38
DPP4 P27487 1/20 0.38

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
SCHEMBL19353119 0.86 EPHX2 (0.50) EPHX2EPHX1MAPTALDH1A1
SCHEMBL21790811 0.82 GAA (0.48) EPHX2MAPTALDH1A1
SCHEMBL21790453 0.82 CPN1 (0.43) EPHX2EPHX1ALDH1A1DPP4
SCHEMBL4569279 0.82 EPHX2 (0.56) EPHX2EPHX1MAPTALDH1A1
SCHEMBL25018149 0.81 JAK3 (0.50)
SCHEMBL26450057 0.77 KDM4E (0.54) EPHX2EPHX1MAPTALDH1A1
SCHEMBL12464694 0.74 KDM4E (0.37) EPHX2EPHX1MAPTALDH1A1
SCHEMBL10938895 0.74 EPHX2 (0.53) EPHX2EPHX1MAPT
SCHEMBL18855198 0.73 EPHX2 (0.46) EPHX2EPHX1MAPT
SCHEMBL21790584 0.71 LMNA (0.39) ALDH1A1

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-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2020-03-05 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-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 EPHX2 1306/4885EPHX1 421/4885MAPT 4163/4885

“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.