Ethane

Ethane

SCHEMBL6842310

CC.Cc1ccccc1CNc1cc(C(=O)N(CCO)CCO)cn2c(C)c(C)nc12

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 20/20 0.56
CYP2C9 P11712 20/20 0.56
CYP2D6 P10635 8/20 0.56
CYP1A2 P05177 6/20 0.56
CYP2C19 P33261 6/20 0.56

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
SCHEMBL4590713 0.88 CYP3A4 (0.74) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL4982224 0.83 CYP3A4 (0.78) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL4591365 0.80 CYP3A4 (0.73) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL4590766 0.80 CYP3A4 (0.70) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL20987029 0.77 CYP3A4 (0.56) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL6351763 0.77 CYP3A4 (0.67) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL4591169 0.77 CYP3A4 (0.70) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL4591130 0.77 CYP3A4 (0.68) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL4987563 0.76 CYP3A4 (0.79) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL5257211 0.76 CYP3A4 (0.64) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19

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-20040067252-A1 Novel modified release formulation ASTRAZENECA AB (SE) 2004-04-08 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-20040067252-A1 Novel modified release formulation ABCB11, SLC47A1, LIPA CYP3A4 689/4885CYP2C9 1291/4885CYP2D6 322/4885

“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.