SCHEMBL22689643

SCHEMBL22689643

CC(C)(C)NC(=O)CCC(N)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.52
GRM6 O15303 1/20 0.52
GRIN2D O15399 1/20 0.52
GRIN3B O60391 1/20 0.52
GSR P00390 1/20 0.52
CYP1A2 P05177 1/20 0.52
GRIK1 P39086 1/20 0.52
GRM5 P41594 1/20 0.52
GRIA1 P42261 1/20 0.52
GRIA2 P42262 1/20 0.52
GRIA3 P42263 1/20 0.52
SLC1A3 P43003 1/20 0.52
SLC1A2 P43004 1/20 0.52
SLC1A1 P43005 1/20 0.52
GRIA4 P48058 1/20 0.52
GRIN1 Q05586 1/20 0.52
GRIN2A Q12879 1/20 0.52
GRIK2 Q13002 1/20 0.52
GRIK3 Q13003 1/20 0.52
GRIN2B Q13224 1/20 0.52

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
SCHEMBL16945389 1.00 GRM8 (0.52) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL9088646 0.85 GRM8 (0.48) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL16688086 0.85 SMN1; SMN2 (0.41) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL542644 0.84 GRM8 (0.47) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL918504 0.84 GSR (0.47) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL21394025 0.80 GRIK1 (0.47) GRIK1GRIA1GRIA2SLC1A3SLC1A2
SCHEMBL21096131 0.80 GRM8 (0.43) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL18803814 0.78 CYP1A2 (0.54) CYP1A2BLMLTA4HSMN1; SMN2MMP2
SCHEMBL21089973 0.78 SLC1A1 (0.48) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL8138 0.78 GSR (0.58) GRM8GRM6GRIN2DGRIN3BGSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12528808-B2 Therapy for erythropoietic protoporphyria (EPP) and X-linked protoporphyria (XLP) UNIVERSITY OF PITTSBURGH OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2026-01-20 US disclosed
US-20220249473-A1 A NOVEL THERAPY FOR ERYTHROPOIETIC PROTOPORPHYRIA (EPP) AND X-LINKED PROTOPORPHYRIA (XLP) UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2022-08-11 US disclosed
EP-3972605-A1 A NOVEL THERAPY FOR ERYTHROPOIETIC PROTOPORPHYRIA (EPP) AND X-LINKED PROTOPORPHYRIA (XLP) University of Pittsburgh - of the Commonwealth System of Higher Education (US) 2022-03-30 EP disclosed
CN-114096250-A Novel therapy for erythropoietic protoporphyrinopathy (EPP) and X-linked protoporphyrinopathy (XLP) 匹兹堡大学联邦高等教育系统 2022-02-25 CN disclosed
WO-2020236901-A1 A NOVEL THERAPY FOR ERYTHROPOIETIC PROTOPORPHYRIA (EPP) AND X-LINKED PROTOPORPHYRIA (XLP) UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-11-26 WO disclosed
WO-2020236901-A1 A NOVEL THERAPY FOR ERYTHROPOIETIC PROTOPORPHYRIA (EPP) AND X-LINKED PROTOPORPHYRIA (XLP) UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-11-26 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-12528808-B2 Therapy for erythropoietic protoporphyria (EPP) and X-linked protoporphyria (XLP) ABCC3, ABCC2, ABCB7 GRM8 4618/4885GRM6 2857/4885GRIN2D 4711/4885
US-20220249473-A1 A NOVEL THERAPY FOR ERYTHROPOIETIC PROTOPORPHYRIA (EPP) AND X-LINKED PROTOPORPHYRIA (XLP) XPA, TPX2, XPOT GRM8 4791/4885GRM6 4650/4885GRIN2D 4843/4885

“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.