SCHEMBL12302148

SCHEMBL12302148

CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc(N3CCN(c4cnc([C@@H]5CCCN5C(=O)OCc5ccccc5)[nH]4)CC3=O)cc2)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 11/20 0.46
▸ HPGDS O60760 3/20 0.42
▸ TMEM97 Q5BJF2 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39

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
SCHEMBL12565150 0.92 PRCP (0.45) PRCPHPGDSTMEM97SIGMAR1KCNH2
SCHEMBL10076571 0.86 PRCP (0.59) PRCPHPGDSKCNH2OPRM1OPRD1
SCHEMBL12302210 0.85 PRCP (0.51) PRCPHPGDSTMEM97SIGMAR1
SCHEMBL7604141 0.83 PRCP (0.55) PRCPHPGDSKCNH2OPRM1OPRD1
SCHEMBL6126817 0.83 PRCP (0.55) PRCPHPGDSKCNH2OPRM1OPRD1
SCHEMBL691476 0.82 HPGDS (0.61) PRCPHPGDSKCNH2CYP3A4CYP2C9
SCHEMBL13501764 0.82 HPGDS (0.61) PRCPHPGDSKCNH2CYP3A4CYP2C9
SCHEMBL691477 0.82 HPGDS (0.61) PRCPHPGDSKCNH2CYP3A4CYP2C9
SCHEMBL10254627 0.82 PRCP (0.53) PRCPHPGDSKCNH2OPRM1OPRD1
SCHEMBL12599425 0.82 PRCP (0.53) PRCPHPGDSKCNH2OPRM1OPRD1

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-20110237579-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2011-09-29 — — US disclosed
US-20110237579-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2011-09-29 — — 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-20110237579-A1 INHIBITORS OF HCV NS5A MAVS, HAVCR2, EIF2AK2 PRCP 989/4885HPGDS 3648/4885TMEM97 1985/4885

“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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