SCHEMBL1829026

SCHEMBL1829026

[CH2]C(C(N)=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.48
CTSD P07339 1/20 0.48
CYP2D6 P10635 2/20 0.46
SRC P12931 1/20 0.46
LMNA P02545 3/20 0.44
MAPK1 P28482 2/20 0.44
CYP1A2 P05177 1/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALOX5 P09917 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
SLC6A3 Q01959 3/20 0.42
DRD3 P35462 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
EDNRB P24530 1/20 0.42
MC4R P32245 1/20 0.42
CYP2C19 P33261 1/20 0.42
MC3R P41968 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
SCHEMBL4838973 1.00 EPHX1 (0.48) EPHX1CTSDCYP2D6SRCLMNA
SCHEMBL727901 0.80 SRC (0.56) CTSDCYP2D6SRCLMNAMAPK1
SCHEMBL5406283 0.79 ESR1 (0.41) CYP2D6SRCLMNAMAPK1CYP1A2
SCHEMBL27761879 0.77 CYP3A4 (0.42) CYP2D6MAPK1CYP1A2SLC6A3ADORA3
SCHEMBL170040 0.77 SRC (0.67) EPHX1CTSDCYP2D6SRCLMNA
SCHEMBL3470624 0.76 HPGD (0.50) CYP2D6SRCLMNAMAPK1ALOX5
SCHEMBL31242992 0.75 CYP2D6 (0.64) EPHX1CTSDCYP2D6SRCLMNA
SCHEMBL741751 0.75 MEN1 (0.58) EPHX1CTSDCYP2D6SRCLMNA
SCHEMBL6838801 0.74 TDP1 (0.61) CYP2D6SRCLMNAMAPK1SMN1; SMN2
SCHEMBL27843461 0.74 EPHX1 (0.42) EPHX1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318363-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS Nuevolution A/S (DK) 2011-05-11 EP claimed
WO-2009152824-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2009-12-23 WO claimed
EP-1246623-A4 COMPOUNDS SPECIFIC TO ADENOSINE A1, A2A, AND A3 RECEPTOR AND USES THEREOF OSI PHARM INC (US) 2003-05-14 EP claimed
EP-1246623-A1 COMPOUNDS SPECIFIC TO ADENOSINE A1, A2A, AND A3 RECEPTOR AND USES THEREOF OSI Pharmaceuticals, Inc. (US) 2002-10-09 EP claimed
WO-2001039777-A1 COMPOUNDS SPECIFIC TO ADENOSINE A1 A2A, AND A3 RECEPTORS AND USES THEREOF OSI PHARMACEUTICALS, INC. (US) 2001-06-07 WO claimed
CN-1088935-A Hemoregulatory peptides SMITHKLINE BEECHAM CORP (US) 1994-07-06 CN claimed
CN-1077960-A HEMOREGULATORY PEPTIDES SMITHKLINE BEECHAM CORP (US) 1993-11-03 CN claimed
CN-1055925-A Pyridine derivate and preparation method thereof ICI PLC (GB) 1991-11-06 CN claimed
CN-110769821-B Spiro indolines as IL-17 modulators UCB生物制药有限责任公司 2023-07-07 CN disclosed
US-11052076-B2 Spirocyclic indolines as IL-17 modulators UCB Biopharma SRL (BE) 2021-07-06 US disclosed
US-20200138797-A1 Spirocyclic Indolines as IL-17 Modulators UCB Biopharma SRL (BE) 2020-05-07 US disclosed
EP-3638227-A1 SPIROCYCLIC INDOLINES AS IL-17 MODULATORS UCB Biopharma SRL (BE) 2020-04-22 EP disclosed
CN-110769821-A Spirocyclic indolines as IL-17 modulators UCB生物制药私人有限公司 2020-02-07 CN disclosed
WO-2018229079-A1 SPIROCYCLIC INDOLINES AS IL-17 MODULATORS UCB BIOPHARMA SPRL (BE) 2018-12-20 WO disclosed
CN-1064485-A IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES MERCK SHARP & DOHME (GB) 1992-09-16 CN disclosed
CN-1054773-A HEMOREGULATORY PEPTIDES SMITHKLINE BEECHAM CORP (US) 1991-09-25 CN disclosed
CN-1040594-A The method for making of neuropeptide tyrosine antagonist MERRELL DOW PHARMA (US) 1990-03-21 CN disclosed
CN-1039029-A The synthetic lung surfactant preparation that contains fat and polypeptide MERRELL DOW PHARMA (US) 1990-01-24 CN disclosed
CN-88103015-A CYCLIC ANTICOAGULANT PEPTIDES 1988-12-21 CN disclosed
CN-86102877-A The method for preparing bicyclic pyrazolidinones 1986-10-29 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 (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-11052076-B2 Spirocyclic indolines as IL-17 modulators IL17A, IL2, IL18 EPHX1 3780/4885CTSD 2633/4885CYP2D6 1674/4885
US-20200138797-A1 Spirocyclic Indolines as IL-17 Modulators IL17A, IL2, IL18 EPHX1 3780/4885CTSD 2633/4885CYP2D6 1674/4885

“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.