SCHEMBL10170977

SCHEMBL10170977

O=C(OCc1ccccc1)N1CCC[C@H]1c1ncc(-c2ccc3oc4cc(Br)ccc4c(=O)c3c2)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRCP P42785 11/20 0.44
NR1I2 O75469 1/20 0.40
KCNH2 Q12809 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38

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
SCHEMBL10170976 0.90 PRCP (0.45) PRCPNR1I2KCNH2OPRM1OPRD1
SCHEMBL10170973 0.90 PRCP (0.48) PRCPNR1I2KCNH2
SCHEMBL10217757 0.89 PRCP (0.42) PRCPNR1I2KCNH2OPRM1OPRD1
SCHEMBL12683010 0.87 PREP (0.39) HCRTR1HCRTR2
SCHEMBL15373624 0.84 NR1I2 (0.61) PRCPNR1I2KCNH2OPRM1OPRD1
SCHEMBL10170989 0.84 PRCP (0.45) PRCPNR1I2KCNH2
SCHEMBL12075239 0.84 PRCP (0.51) PRCPNR1I2KCNH2OPRM1OPRD1
SCHEMBL6126744 0.84 PRCP (0.51) PRCPNR1I2KCNH2OPRM1OPRD1
SCHEMBL12175006 0.84 PRCP (0.55) PRCPNR1I2KCNH2OPRM1OPRD1
SCHEMBL205415 0.84 PRCP (0.55) PRCPNR1I2KCNH2OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150554-B2 Fused ring inhibitors of hepatitis C PRESIDIO PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-9150554-B2 Fused ring inhibitors of hepatitis C PRESIDIO PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-8999967-B2 Tricyclic fused ring inhibitors of hepatitis C PRESIDIO PHARMACEUTICALS, INC. (US) 2015-04-07 US disclosed
US-8999967-B2 Tricyclic fused ring inhibitors of hepatitis C PRESIDIO PHARMACEUTICALS, INC. (US) 2015-04-07 US disclosed
US-20130296304-A1 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-07 US disclosed
US-20130296304-A1 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-07 US disclosed
US-20120040962-A1 FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
US-20120040962-A1 FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2012-02-16 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-20130296304-A1 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C HAVCR2, HCCS, LIPC PRCP 171/4885NR1I2 183/4885KCNH2 4332/4885
US-20120040962-A1 FUSED RING INHIBITORS OF HEPATITIS C HAVCR2, HCCS, ZC3HAV1 PRCP 157/4885NR1I2 151/4885KCNH2 4485/4885

“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.