SCHEMBL21790453

SCHEMBL21790453

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 1/20 0.43
CPB2 Q96IY4 1/20 0.43
EPHX2 P34913 9/20 0.41
CCR8 P51685 1/20 0.36
ALDH1A1 P00352 2/20 0.36
EPHX1 P07099 1/20 0.35
DPP4 P27487 1/20 0.35
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
THRB P10828 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.35
NPC1 O15118 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
SCHEMBL19352796 0.88 CPN1 (0.43) CPN1CPB2EPHX2CCR8ALDH1A1
SCHEMBL12404022 0.85 CPN1 (0.43) CPN1CPB2EPHX2CCR8ALDH1A1
SCHEMBL21790666 0.82 EPHX2 (0.50) EPHX2ALDH1A1EPHX1DPP4
SCHEMBL21790811 0.78 GAA (0.48) EPHX2ALDH1A1THRBATML3MBTL1
SCHEMBL25018149 0.77 JAK3 (0.50)
SCHEMBL12844564 0.77 CPN1 (0.47) CPN1CPB2EPHX2CCR8ALDH1A1
SCHEMBL13866398 0.76 CPN1 (0.46) CPN1CPB2EPHX2CCR8ALDH1A1
SCHEMBL18202813 0.76 CPN1 (0.49) CPN1CPB2EPHX2CCR8ALDH1A1
Hydrochloric Acid SCHEMBL15808554 0.75 CPN1 (0.45) CPN1CPB2EPHX2CCR8ALDH1A1
SCHEMBL12404005 0.73 NPC1 (0.42) EPHX2CCR8ALDH1A1EPHX1GNAI3

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 CPN1 4090/4885CPB2 3934/4885EPHX2 1306/4885

“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.