SCHEMBL10299120

SCHEMBL10299120

COC(=O)N[C@H](C(=O)N1CCCC1c1ncc(C)[nH]1)[C@H](C)OC

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 7/20 0.65
▸ CYP2C9 P11712 5/20 0.65
▸ NR1I2 O75469 2/20 0.65
▸ KCNH2 Q12809 2/20 0.65
▸ ABCB11 O95342 1/20 0.65
▸ OPRK1 P41145 1/20 0.65
▸ CYP1A2 P05177 3/20 0.58
▸ CYP2D6 P10635 2/20 0.57

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
SCHEMBL3266518 1.00 CYP3A4 (0.65) CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL3266867 1.00 CYP3A4 (0.65) CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL5993163 0.92 CYP3A4 (0.75) CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL20707007 0.92 CYP3A4 (0.75) CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL3265918 0.92 CYP3A4 (0.75) CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL17615404 0.90 CYP3A4 (0.65) CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL14979709 0.90 CYP3A4 (0.65) CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL3266863 0.89 CYP3A4 (0.64) CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL3265350 0.89 CYP3A4 (0.64) CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL15883083 0.88 CYP3A4 (0.61) CYP3A4CYP2C9NR1I2KCNH2ABCB11

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-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 3780/4885NR1I2 2411/4885

“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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