SCHEMBL9972508

SCHEMBL9972508

CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc(C=C(c3ccc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)cc3)c3ccc(C(C)(C)C)cc3)cc2)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 8/20 0.55
▸ CYP3A4 P08684 4/20 0.47
▸ CYP2C9 P11712 3/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ NR1I2 O75469 1/20 0.46
▸ ABCB11 O95342 1/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ HPGDS O60760 3/20 0.46
▸ HCRTR1 O43613 1/20 0.40
▸ HCRTR2 O43614 1/20 0.40

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
SCHEMBL9972638 0.93 CYP3A4 (0.55) PRCPCYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL2685422 0.91 PRCP (0.59) PRCPCYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL5992658 0.89 HPGDS (0.49) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL5992962 0.88 PRCP (0.58) PRCPCYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL5991412 0.86 PRCP (0.48) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL2706110 0.85 CYP3A4 (0.58) PRCPCYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL753302 0.84 CYP3A4 (0.60) PRCPCYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL11910995 0.84 CYP3A4 (0.60) PRCPCYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL15765637 0.83 CYP3A4 (0.73) PRCPCYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL13223842 0.83 PRCP (0.55) PRCPCYP3A4CYP2C9CYP1A2CYP2D6

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-20140155382-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2014-06-05 — — US disclosed
WO-2012083164-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-06-21 — — WO 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-20140155382-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS PRCP 816/4885CYP3A4 1792/4885CYP2C9 3780/4885

“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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