SCHEMBL6875423

SCHEMBL6875423

NCc1ccccc1C[C]=O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.46
PNMT P11086 3/20 0.44
TAAR1 Q96RJ0 6/20 0.38
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LOXL2 Q9Y4K0 2/20 0.35
HTR2A P28223 1/20 0.34
CYP2A6 P11509 1/20 0.33

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
SCHEMBL11480751 0.87 GABRA1 (0.36) DPP4TAAR1
SCHEMBL38656820 0.80 PNMT (0.48) DPP4PNMTTAAR1KDM4ESMN1; SMN2
SCHEMBL29098931 0.80 PNMT (0.48) DPP4PNMTTAAR1KDM4ESMN1; SMN2
SCHEMBL15247 0.79 PNMT (0.63) DPP4PNMTTAAR1KDM4ESMN1; SMN2
SCHEMBL29405036 0.79 PNMT (0.63) DPP4PNMTTAAR1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL28493658 0.78 PNMT (0.46) DPP4PNMTTAAR1KDM4ESMN1; SMN2
SCHEMBL96154 0.78 GABRA1 (0.45) TAAR1KDM4E
SCHEMBL11346922 0.77 PNMT (0.41) DPP4PNMTTAAR1KDM4ESMN1; SMN2
SCHEMBL7687789 0.76 APOBEC3G (0.43) DPP4TAAR1CYP2A6
SCHEMBL360936 0.76 FDPS (0.41) TAAR1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118354781-A Peptide inhibitors of interleukin-23 receptor 西兰制药公司 2024-07-16 CN claimed
WO-2023099669-A1 PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR ZEALAND PHARMA A/S (DK) 2023-06-08 WO claimed
US-20040260084-A1 Novel c-3 s/o-and s/n formaldehe acetal derivatives of cephalosporins and their use as antibotics PFAENDLER HANS R (DE) 2004-12-23 US claimed
EP-1444237-A1 NOVEL C-3 S/O- AND S/N FORMALDEHE ACETAL DERIVATIVES OF CEPHALO SPORINS AND THEIR USE AS ANTIBIOTICS Pfaendler, Hans Rudolf (DE) 2004-08-11 EP claimed
WO-2003042219-A1 NOVEL C-3 S/O- AND S/N FORMALDEHE ACETAL DERIVATIVES OF CEPHALO SPORINS AND THEIR USE AS ANTIBIOTICS PFAENDLER HANS RUDOLF (DE) 2003-05-22 WO claimed
EP-0382411-B1 Delivery of cytotoxic agents LILLY CO ELI (US) 1994-12-07 EP claimed
WO-1994001137-A1 METHOD FOR DELIVERY OF CYTOTOXIC AGENTS AND COMPONENTS THEREOF HYBRITECH INCORPORATED (US) 1994-01-20 WO claimed
EP-0382411-A2 Delivery of cytotoxic agents ELI LILLY AND COMPANY (US) 1990-08-16 EP claimed
EP-0363223-A2 3-Aryloxymethyl-cephalosporin derivatives, their preparation and their medical use Sankyo Company Limited (JP) 1990-04-11 EP claimed
US-4172199-A ISOOXACEPHALOSPORINS BRISTOL-MYERS COMPANY (US) 1979-10-23 US claimed
US-4171439-A Antibacterial analogs of isocephalosporins BRISTOL-MYERS COMPANY (US) 1979-10-16 US claimed
US-4171438-A 0-2-Isocephem-4-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1979-10-16 US claimed
US-4166906-A ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1979-09-04 US claimed
US-4166905-A ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1979-09-04 US claimed
US-4144333-A Monocyclic beta-lactams with antibacterial activity SMITHKLINE CORPORATION (US) 1979-03-13 US claimed
US-4118566-A Δ2,3 -1,4-Morpholine-2-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1978-10-03 US claimed
US-4113946-A Δ2,3 -1,4-Morpholine-2-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1978-09-12 US claimed
US-4112230-A Δ2,3 -1,4 Morpholine-2-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1978-09-05 US claimed
CN-118354781-A Peptide inhibitors of interleukin-23 receptor 西兰制药公司 2024-07-16 CN disclosed
US-4011216-A Δ2,3-0-2-Isocephem-4-carboxylic acid and derivatives thereof as antibacterial agents BRISTOL-MYERS COMPANY (US) 1977-03-08 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 (1 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-20040260084-A1 Novel c-3 s/o-and s/n formaldehe acetal derivatives of cephalosporins and their use as antibotics CBR3, CBR1, SULT1E1 DPP4 3858/4885PNMT 2788/4885TAAR1 4113/4885

“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.