SCHEMBL2183709

SCHEMBL2183709

CCCC(C(N)=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.59
▸ CYP1A2 P05177 2/20 0.48
▸ CYP2D6 P10635 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ AOC3 Q16853 2/20 0.47
▸ ALOX5 P09917 1/20 0.46
▸ KCNQ2 O43526 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ MMP9 P14780 1/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ GPR88 Q9GZN0 1/20 0.42
▸ TRPM8 Q7Z2W7 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL6206951 0.90 EPHX1 (0.49) EPHX1CYP1A2CYP2D6CYP2C19CYP3A4
SCHEMBL528414 0.89 EPHX1 (0.56) EPHX1ALOX5LMNAHSD17B10MMP9
SCHEMBL1945087 0.87 EPHX1 (0.54) EPHX1ALOX5LMNAHSD17B10MMP9
Hydrochloric Acid SCHEMBL31092601 0.87 EPHX1 (0.54) EPHX1ALOX5LMNAHSD17B10MMP9
SCHEMBL18248508 0.86 EPHX1 (0.53) EPHX1LMNAMMP9MMP8MMP13
SCHEMBL1404164 0.86 EPHX1 (0.53) EPHX1LMNAMMP9MMP8MMP13
SCHEMBL8763769 0.86 EPHX1 (0.53) EPHX1LMNAMMP9MMP8MMP13
SCHEMBL21359023 0.86 EPHX1 (0.53) EPHX1LMNAMMP9MMP8MMP13
SCHEMBL4555669 0.86 EPHX1 (0.53) EPHX1LMNAMMP9MMP8MMP13
SCHEMBL7642789 0.86 EPHX1 (0.53) EPHX1LMNAMMP9MMP8MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120190680-A1 Heteroaryl Amide Analogues H. LUNDBECK A/S (DK) 2012-07-26 — — US claimed
EP-2185560-A1 HETEROARYL AMIDE ANALOGUES H. Lundbeck A/S (DK) 2010-05-19 — — EP claimed
WO-2009108551-A2 HETEROARYL AMIDE ANALOGUES H. LUNDBECK A/S (DK) 2009-09-03 — — WO claimed
WO-2009023623-A1 HETEROARYL AMIDE ANALOGUES H, LUNDBECK A/S (DK) 2009-02-19 — — WO claimed
EP-1888525-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0]HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-02-20 — — EP claimed
US-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2007-10-11 — — US claimed
WO-2006117754-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 — — WO claimed
CN-1791407-A [(2-hydroxy-2-(4-hydroxy-3-hydroxymethylphenyl)-ethylamino)-propyl] phenyl derivatives as beta2 agonists PFIZER (US) 2006-06-21 — — CN claimed
WO-2005007094-A2 ASTHMA AND ALLERGIC INFLAMMATION MODULATORS TULARIK INC. (US) 2005-01-27 — — WO claimed
US-12459921-B2 Isoindoline compound, preparation method, pharmaceutical composition and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2025-11-04 — — US disclosed
US-RE49594-E1 Apelin receptor (APJ) agonists and uses thereof RESEARCH TRIANGLE INSTITUTE (US) 2023-08-01 — — US disclosed
EP-4192824-A1 THERAPEUTIC COMPOSITION OF CURE-PRO COMPOUNDS FOR TARGETED DEGRADATION OF BET DOMAIN PROTEINS, AND METHODS OF MAKING AND USAGE Cornell University (US) 2023-06-14 — — EP disclosed
US-11535630-B2 Apelin receptor (APJ) agonists and uses thereof RESEARCH TRIANGLE INSTITUTE (US) 2022-12-27 — — US disclosed
CN-113214104-B Method for synthesizing aromatic acetamide 浙江工业大学 2022-05-24 — — CN disclosed
EP-0833637-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONIST MERCK & CO INC (US) 1998-07-08 — — EP disclosed
EP-0833637-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONIST Merck & Co., Inc. (US) 1998-04-08 — — EP disclosed
WO-1996040136-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONIST MERCK & CO., INC. (US) 1996-12-19 — — WO disclosed
CN-1122331-A Benzene, pyridine and pyrimidine derivative EISAI CO LTD (JP) 1996-05-15 — — CN disclosed
EP-0706994-A1 Melatonergic agents BRISTOL-MYERS SQUIBB COMPANY (US) 1996-04-17 — — EP disclosed
CN-1060466-A Derivatives of Benzene, Pyridine and Pyrimidine EISAI CO LTD (JP) 1992-04-22 — — CN 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 (4 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-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS GLP1R, GIPR, IAPP EPHX1 3506/4885CYP1A2 3207/4885CYP2D6 2043/4885
US-11535630-B2 Apelin receptor (APJ) agonists and uses thereof APLNR, AP1G1, APMAP EPHX1 3387/4885CYP1A2 4586/4885CYP2D6 4712/4885
US-12459921-B2 Isoindoline compound, preparation method, pharmaceutical composition and use thereof CUL4B, CUL4A, UBQLN1 EPHX1 2669/4885CYP1A2 379/4885CYP2D6 645/4885
US-20120190680-A1 Heteroaryl Amide Analogues P2RX3, P2RX2, ADORA2A EPHX1 827/4885CYP1A2 787/4885CYP2D6 543/4885

“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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