SCHEMBL17330820

SCHEMBL17330820

C[C@H](N)c1nc2cccc(Cl)c2c(=O)n1C1CCCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.48
▸ OGFRL1 Q5TC84 3/20 0.48
▸ OPRD1 P41143 2/20 0.48
▸ PIK3CD O00329 16/20 0.46
▸ PIK3R2 O00459 8/20 0.44
▸ OPRK1 P41145 2/20 0.44
▸ HCAR1 Q9BXC0 1/20 0.43

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
SCHEMBL17330623 0.97 PIK3CD (0.47) OPRM1OGFRL1OPRD1PIK3CDPIK3R2
SCHEMBL17330717 0.97 PIK3CD (0.47) OPRM1OGFRL1OPRD1PIK3CDPIK3R2
SCHEMBL17330517 0.93 BTK (0.46) OPRM1OGFRL1OPRD1PIK3CDPIK3R2
SCHEMBL17330518 0.93 BTK (0.46) OPRM1OGFRL1OPRD1PIK3CDPIK3R2
SCHEMBL17330731 0.93 BTK (0.46) OPRM1OGFRL1OPRD1PIK3CDPIK3R2
SCHEMBL17330951 0.91 PIK3CD (0.44) OPRM1OGFRL1OPRD1PIK3CDPIK3R2
SCHEMBL17330563 0.91 PIK3CD (0.44) OPRM1OGFRL1OPRD1PIK3CDPIK3R2
SCHEMBL17330565 0.91 PIK3CD (0.44) OPRM1OGFRL1OPRD1PIK3CDPIK3R2
SCHEMBL22854505 0.88 PIK3CD (0.46) OPRM1OGFRL1OPRD1PIK3CDPIK3R2
SCHEMBL17330844 0.88 PIK3CD (0.45) OPRM1OGFRL1OPRD1PIK3CDPIK3R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154958-B1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES INC (US) 2020-10-07 — — EP disclosed
US-10092563-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD SCIENCES, INC. (US) 2018-10-09 — — US disclosed
EP-3154958-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS Gilead Sciences, Inc. (US) 2017-04-19 — — EP disclosed
US-20150361054-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2015-12-17 — — US disclosed
WO-2015191752-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2015-12-17 — — 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-20150361054-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, PIK3CB OPRM1 816/4885OGFRL1 2863/4885OPRD1 1959/4885
US-10092563-B2 Phosphatidylinositol 3-kinase inhibitors PIK3CA, AKT3, PIK3CB OPRM1 816/4885OGFRL1 2863/4885OPRD1 1959/4885

“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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