SCHEMBL10006040

SCHEMBL10006040

COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(C3CCC(c4ccc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)O)C(C)C)[nH]5)cc4)C3c3ccc(C(C)(C)C)cc3)cc2)[nH]1)C(C)C

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 7/20 0.71
▸ CYP2C9 P11712 6/20 0.71
▸ KCNH2 Q12809 3/20 0.71
▸ NR1I2 O75469 2/20 0.71
▸ ABCB11 O95342 1/20 0.71
▸ OPRK1 P41145 1/20 0.71
▸ CYP1A2 P05177 3/20 0.70
▸ CYP2D6 P10635 2/20 0.70
▸ PRCP P42785 1/20 0.49

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
SCHEMBL10006046 1.00 CYP3A4 (0.71) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL10006041 0.90 CYP3A4 (0.57) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL3250347 0.87 CYP3A4 (0.93) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL3343543 0.87 CYP3A4 (0.93) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL3348385 0.87 CYP3A4 (0.93) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL3250371 0.87 CYP3A4 (0.93) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL3348348 0.87 CYP3A4 (0.93) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL3341730 0.87 CYP3A4 (0.93) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL3350695 0.87 CYP3A4 (0.93) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL3343527 0.87 CYP3A4 (0.93) CYP3A4CYP2C9KCNH2NR1I2ABCB11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9394279-B2 Anti-viral compounds ABBVIE INC. (US) 2016-07-19 — — US disclosed
US-20120172290-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-07-05 — — 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-20120172290-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CYP3A4 1792/4885CYP2C9 3780/4885KCNH2 4523/4885

“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.

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