Sugi Predict

Sugi Predict / Compounds / SCHEMBL3354440

SCHEMBL3354440

SCHEMBL3354440

CC(C)CNC(=O)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.59
▸ CYP2C19 P33261 2/20 0.59
▸ MMP1 P03956 1/20 0.50
▸ MMP8 P22894 1/20 0.50
▸ HPGD P15428 3/20 0.44
▸ KMT2A Q03164 3/20 0.42
▸ EPHX1 P07099 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.41
▸ TAS1R1 Q7RTX1 1/20 0.41
▸ TAS1R2 Q8TE23 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ ERCC1 P07992 1/20 0.38
▸ ERCC4 Q92889 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
SCHEMBL25891221 0.84 CYP2D6 (0.48) CYP2D6CYP2C19MMP1MMP8HPGD
SCHEMBL23866601 0.81 CYP2D6 (0.56) CYP2D6CYP2C19MMP1MMP8HPGD
SCHEMBL13534167 0.81 CYP2D6 (0.39) CYP2D6CYP2C19MMP1MMP8KMT2A
SCHEMBL17680117 0.81 CYP2D6 (0.39) CYP2D6CYP2C19MMP1MMP8KMT2A
SCHEMBL2315958 0.81 CYP2D6 (0.56) CYP2D6CYP2C19MMP1MMP8HPGD
SCHEMBL10072998 0.81 CYP2D6 (0.39) CYP2D6CYP2C19MMP1MMP8KMT2A
SCHEMBL8633406 0.81 CYP2D6 (0.56) CYP2D6CYP2C19MMP1MMP8HPGD
SCHEMBL10311725 0.81 CYP2D6 (0.39) CYP2D6CYP2C19MMP1MMP8KMT2A
SCHEMBL10311696 0.81 CYP2D6 (0.39) CYP2D6CYP2C19MMP1MMP8KMT2A
SCHEMBL26658359 0.80 CYP2D6 (0.41) CYP2D6CYP2C19MMP1MMP8HPGD

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 325 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453789-A2 N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2004-09-08 — — EP claimed
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives PHARMACIA & UPJOHN COMPANY 2004-09-02 — — US claimed
JP-2004502669-A — — 2004-01-29 — — JP claimed
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 — — EP claimed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 — — WO claimed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 — — WO claimed
EP-4472947-A1 SWEETENER COMPOSITIONS Firmenich Incorporated (US) 2024-12-11 — — EP disclosed
US-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2024-07-18 — — US disclosed
US-12036290-B2 Pharmaceutical formulations Blue Earth Diagnostics Limited (GB) 2024-07-16 — — US disclosed
US-20240226104-A1 PI3K INHIBITORS, NANOFORMULATIONS, AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2024-07-11 — — US disclosed
WO-2024145931-A1 SMALL MOLECULE INHIBITOR FOR β-CATENIN/BCL9 PROTEIN-PROTEIN INTERACTION AND USE THEREOF 上海医药工业研究院有限公司 2024-07-11 — — WO disclosed
US-20240218374-A1 Nucleic Acid Compounds That Bind Coronavirus Proteins SOMALOGIC OPERATING CO., INC. (US) 2024-07-04 — — US disclosed
US-20240218374-A1 Nucleic Acid Compounds That Bind Coronavirus Proteins SOMALOGIC OPERATING CO., INC. (US) 2024-07-04 — — US disclosed
WO-2002047679-A2 NONPEPTIDE AGONISTS AND ANTAGONISTS OF VASOPRESSIN RECEPTORS EMORY UNIVERSITY (US) 2002-06-20 — — WO disclosed
EP-0792869-B1 Azoamide compounds and their use as polymerization initiators WAKO PURE CHEM IND LTD (JP) 2002-05-22 — — EP disclosed
EP-0792869-A1 Azoamide compounds and their use as polymerization initiators WAKO PURE CHEMICAL INDUSTRIES, LTD (JP) 1997-09-03 — — EP disclosed
US-5614519-A (1-(2,3 or 4-N-morpholinoalkyl)-imidazol-4-yl)-benizimidazol-1-yl-methyl]-biphenyls useful as angiotensin-II antagonists KARL THOMAE GMBH (DE) 1997-03-25 — — US disclosed
US-5602127-A ADMINISTERING TO TREAT HYPERTENSION KARL THOMAE GMBH (DE) 1997-02-11 — — US disclosed
US-5594003-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-14 — — US disclosed
US-5591762-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-07 — — 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 (5 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-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF UACA, ADCYAP1R1, ADCY1 CYP2D6 1242/4885CYP2C19 411/4885MMP1 2930/4885
US-20240218374-A1 Nucleic Acid Compounds That Bind Coronavirus Proteins SARS1, RNGTT, PABPC1 CYP2D6 4313/4885CYP2C19 4645/4885MMP1 4228/4885
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives BACE1, BACE2, PSEN1 CYP2D6 2162/4885CYP2C19 3144/4885MMP1 1372/4885
US-12036290-B2 Pharmaceutical formulations SLC5A1, SLC5A11, SSTR3 CYP2D6 2121/4885CYP2C19 698/4885MMP1 3589/4885
US-20240226104-A1 PI3K INHIBITORS, NANOFORMULATIONS, AND USES THEREOF PI4KA, PIK3CA, PI4KB CYP2D6 3779/4885CYP2C19 3095/4885MMP1 1984/4885

“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.