SCHEMBL2604889

SCHEMBL2604889

CCCC(=O)NCC(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
HPGD P15428 3/20 0.49
CASP2 P42575 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
PSMB5 P28074 1/20 0.47
EPHX1 P07099 1/20 0.47
CTSD P07339 1/20 0.46
MTNR1A P48039 3/20 0.45
MTNR1B P49286 3/20 0.45
MMP1 P03956 1/20 0.45
MMP8 P22894 1/20 0.45
EPHX2 P34913 3/20 0.45
MAPT P10636 1/20 0.44
KAT2A Q92830 1/20 0.43
KAT2B Q92831 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
SCHEMBL3914202 0.86 HPGD (0.54) CYP2D6CYP2C19HPGDCASP2PSMB5
SCHEMBL22134390 0.85 EPHX1 (0.47) CYP2D6CYP2C19HPGDCASP2EPHX1
SCHEMBL9462479 0.85 FAAH (0.61) HPGDCASP2PSMB5EPHX1EPHX2
SCHEMBL22858823 0.84 ALDH1A1 (0.48) CYP2C19CASP2HDAC3HDAC1HDAC2
SCHEMBL22858807 0.84 ALDH1A1 (0.48) CYP2C19CASP2HDAC3HDAC1HDAC2
SCHEMBL22162633 0.84 ALDH1A1 (0.48) CYP2C19CASP2HDAC3HDAC1HDAC2
SCHEMBL24119924 0.83 PSMB5 (0.42) CYP2D6CYP2C19HPGDCASP2HDAC3
SCHEMBL1456461 0.83 FAAH (0.64) HPGDCASP2PSMB5EPHX1
Tetrahydropellitorine SCHEMBL4878046 0.83 FAAH (0.64) HPGDCASP2PSMB5EPHX1
SCHEMBL20883256 0.83 FAAH (0.64) HPGDCASP2PSMB5EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114806052-A Wave-absorbing/light-structure integrated foam material and preparation method and application thereof 四川大学 2022-07-29 CN claimed
EP-0821675-A1 NOVEL HYDROXAMIC ACID AND AMINO-CARBOXYLATE COMPOUNDS AS METALLOPROTEASE AND TNF INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-02-04 EP claimed
WO-1996033176-A1 NOVEL HYDROXAMIC ACID AND AMINO-CARBOXYLATE COMPOUNDS AS METALLOPROTEASE AND TNF INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-10-24 WO claimed
CN-114806052-B Wave-absorbing/light structure integrated foam material and preparation method and application thereof 四川大学 2023-07-18 CN disclosed
US-20230123784-A1 Biodegradable Polyethylene Glycol Based Water-Insoluble Hydrogels ASCENDIS PHARMA A/S (DK) 2023-04-20 US disclosed
CN-114806052-A Wave-absorbing/light-structure integrated foam material and preparation method and application thereof 四川大学 2022-07-29 CN disclosed
EP-2694505-B1 HSP90 INHIBITORS SLOAN KETTERING INST CANCER RES (US) 2022-04-27 EP disclosed
EP-3728235-B1 SUBSTITUTED THIOPHENYLURACILS , THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS SYNGENTA CROP PROTECTION AG (CH) 2022-02-09 EP disclosed
US-20210115013-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-04-22 US disclosed
US-20200290950-A1 ALKAMIDE COMPOUNDS AND USES THEREOF NORTH CAROLINA STATE UNIVERSITY 2020-09-17 US disclosed
US-20200290950-A1 ALKAMIDE COMPOUNDS AND USES THEREOF NORTH CAROLINA STATE UNIVERSITY 2020-09-17 US disclosed
US-20070213407-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS AND PHARMACIA & UPJOHN COMPANY LLC 2007-09-13 US disclosed
US-20070213315-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2007-09-13 US disclosed
US-20060106256-A1 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY 2006-05-18 US disclosed
US-20020128208-A1 Nonpeptide agonists and antagonists of vasopressin receptors EMORY UNIVERSITY 2002-09-12 US disclosed
WO-2002047679-A2 NONPEPTIDE AGONISTS AND ANTAGONISTS OF VASOPRESSIN RECEPTORS EMORY UNIVERSITY (US) 2002-06-20 WO 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 (7 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-20200290950-A1 ALKAMIDE COMPOUNDS AND USES THEREOF ALK, ENPP2, CYSLTR2 CYP2D6 1759/4885CYP2C19 2375/4885HPGD 2424/4885
US-20070213315-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 CYP2D6 1646/4885CYP2C19 2090/4885HPGD 1197/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT CYP2D6 1759/4885CYP2C19 1374/4885HPGD 564/4885
US-20230123784-A1 Biodegradable Polyethylene Glycol Based Water-Insoluble Hydrogels PLG, PHYKPL, PLOD3 CYP2D6 931/4885CYP2C19 1221/4885HPGD 21/4885
US-20210115013-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 CYP2D6 3082/4885CYP2C19 3278/4885HPGD 3748/4885
US-20060106256-A1 Substituted hydroxyethylamines HNMT, PNMT, BCHE CYP2D6 308/4885CYP2C19 430/4885HPGD 356/4885
US-20020128208-A1 Nonpeptide agonists and antagonists of vasopressin receptors AVPR1A, AVPR2, AVPR1B CYP2D6 1925/4885CYP2C19 2256/4885HPGD 781/4885

“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.