SCHEMBL2684536

SCHEMBL2684536

O=C(O)N1CCC[C@H]1c1ncc(-c2ccc(C(=Cc3ccc([N+](=O)[O-])cc3)c3ccccc3)cc2)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 11/20 0.48
▸ HCRTR1 O43613 1/20 0.43
▸ HCRTR2 O43614 1/20 0.43
▸ NR1I2 O75469 1/20 0.42
▸ ABCB11 O95342 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41

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
SCHEMBL2684534 1.00 PRCP (0.48) PRCPHCRTR1HCRTR2NR1I2ABCB11
SCHEMBL5991412 0.90 PRCP (0.48) PRCPHCRTR1HCRTR2NR1I2ABCB11
SCHEMBL15848392 0.88 PRCP (0.54) PRCPHCRTR1HCRTR2NR1I2ABCB11
SCHEMBL15848394 0.88 PRCP (0.54) PRCPHCRTR1HCRTR2NR1I2ABCB11
SCHEMBL2686003 0.83 CYP3A4 (0.55) PRCPHCRTR1HCRTR2NR1I2ABCB11
SCHEMBL2685422 0.83 PRCP (0.59) PRCPHCRTR1HCRTR2NR1I2ABCB11
SCHEMBL5992658 0.78 HPGDS (0.49) PRCPHCRTR1HCRTR2NR1I2ABCB11
SCHEMBL3343952 0.78 PRCP (0.61) PRCPHCRTR1HCRTR2NR1I2ABCB11
SCHEMBL15854374 0.75 PRCP (0.51) PRCPHCRTR1HCRTR2NR1I2ABCB11
SCHEMBL2788881 0.75 PRCP (0.57) PRCPHCRTR1HCRTR2NR1I2ABCB11

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
US-20120115918-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-05-10 — — 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 (2 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-20120115918-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS PRCP 816/4885HCRTR1 4113/4885HCRTR2 4609/4885
US-20140155382-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS PRCP 816/4885HCRTR1 4113/4885HCRTR2 4609/4885

“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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