SCHEMBL10170776

SCHEMBL10170776

O=C(CBr)c1ccc2c(c1)C1CCC2c2cc(C(=O)CBr)ccc21

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 6/20 0.47
▸ GSK3B P49841 12/20 0.46
▸ GNG2 P59768 1/20 0.38
▸ GNB1 P62873 1/20 0.38
▸ SLC6A4 P31645 4/20 0.35
▸ SLC6A2 P23975 3/20 0.35
▸ SLC6A3 Q01959 3/20 0.35

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
SCHEMBL10170793 0.82 SLC6A4 (0.36) GSK3BSLC6A4SLC6A2SLC6A3
SCHEMBL10170794 0.82 GSK3B (0.46) GSK3BSLC6A4SLC6A2SLC6A3
SCHEMBL23797248 0.79 RARG (0.49) PTPN1GSK3BGNG2GNB1
SCHEMBL2224458 0.79 GSK3B (0.46) PTPN1GSK3BGNG2GNB1
SCHEMBL15927449 0.79 RARG (0.49) PTPN1GSK3BGNG2GNB1
SCHEMBL10170781 0.77 SLC6A4 (0.50) PTPN1SLC6A4SLC6A2SLC6A3
SCHEMBL11169652 0.77 SLC6A4 (0.50) PTPN1SLC6A4SLC6A2SLC6A3
SCHEMBL11115696 0.76 CHRNA1 (0.53) SLC6A4SLC6A2SLC6A3
SCHEMBL10170777 0.76 CHRNA1 (0.53) SLC6A4SLC6A2SLC6A3
SCHEMBL10170791 0.75 ALDH1A1 (0.49) SLC6A4SLC6A2SLC6A3

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 9 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
WO-2012050918-A2 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICAL, INC. (US) 2012-04-19 — — WO disclosed
US-20120040962-A1 FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2012-02-16 — — US disclosed
WO-2010111534-A1 FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2010-09-30 — — 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 (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 PTPN1 3299/4885GSK3B 446/4885GNG2 3446/4885
US-20120040962-A1 FUSED RING INHIBITORS OF HEPATITIS C HAVCR2, HCCS, ZC3HAV1 PTPN1 3192/4885GSK3B 422/4885GNG2 3267/4885

“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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