Sugi Predict

Sugi Predict / Compounds / SCHEMBL3631013

SCHEMBL3631013

SCHEMBL3631013

[CH2]c1ccccc1N(CC=C)CC=C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 1/20 0.38
▸ CYP1A2 P05177 1/20 0.34
▸ PTPN1 P18031 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ POLB P06746 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ CHKA P35790 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HTR1A P08908 1/20 0.30
▸ ADRA2A P08913 1/20 0.30
▸ ADRA2B P18089 1/20 0.30

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
SCHEMBL6692162 0.77 PTPN1 (0.40) C5AR1CYP1A2PTPN1ALDH1A1LMNA
SCHEMBL7717165 0.77 PTPN1 (0.37) C5AR1CYP1A2PTPN1ALDH1A1LMNA
SCHEMBL5147072 0.77 C5AR1 (0.37) C5AR1CYP1A2PTPN1ALDH1A1LMNA
SCHEMBL473072 0.77 ALDH1A1 (0.40) C5AR1CYP1A2PTPN1ALDH1A1LMNA
SCHEMBL8772379 0.77 C5AR1 (0.37) C5AR1CYP1A2PTPN1ALDH1A1LMNA
SCHEMBL5573303 0.77 PTPN1 (0.40) C5AR1CYP1A2PTPN1ALDH1A1LMNA
SCHEMBL10352409 0.77 ALDH1A1 (0.40) C5AR1CYP1A2PTPN1ALDH1A1LMNA
SCHEMBL2325772 0.77 C5AR1 (0.37) C5AR1CYP1A2PTPN1ALDH1A1LMNA
SCHEMBL556848 0.77 C5AR1 (0.37) C5AR1CYP1A2PTPN1ALDH1A1LMNA
SCHEMBL544101 0.77 C5AR1 (0.44) C5AR1CYP1A2PTPN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6489261-B1 Catalyst composition comprising a reduced transition metal complex and a cocatalyst DSM N.V. (NL) 2002-12-03 — — US claimed
EP-1028983-A1 CATALYST COMPOSITION COMPRISING A REDUCED TRANSITION METAL COMPLEX AND A COCATALYST DSM N.V. (NL) 2000-08-23 — — EP claimed
WO-1999028358-A1 CATALYST COMPOSITION COMPRISING A REDUCED TRANSITION METAL COMPLEX AND A COCATALYST DSM N.V. (NL) 1999-06-10 — — WO claimed
EP-0919571-A1 Catalyst composition comprising a reduced transition metal complex and a cocatalyst DSM N.V. (NL) 1999-06-02 — — EP claimed
WO-2024096067-A1 CYCLIC PEPTIDE DERIVATIVE COMPOSITION FOR TREATING OR PREVENTING NEUROPATHIC PAIN AND/OR INFLAMMATORY PAIN 第一工業製薬株式会社 2024-05-10 — — WO disclosed
WO-2024096066-A1 CYCLIC PEPTIDE DERIVATIVE COMPOSITION FOR TREATING OR PREVENTING CENTRAL NERVOUS SYSTEM INJURY/DISEASE 第一工業製薬株式会社 2024-05-10 — — WO disclosed
WO-2024071371-A1 HETEROCYCLIC COMPOUND ユビエンス株式会社 2024-04-04 — — WO disclosed
WO-2024071370-A1 CYCLIC PEPTIDE DERIVATIVE COMPOSITION FOR TREATING OR PREVENTING EYE DISEASE 第一工業製薬株式会社 2024-04-04 — — WO disclosed
WO-2024029630-A1 CYCLIC PEPTIDE DERIVATIVE, METHOD FOR PRODUCING SAME, AND COMPOSITION 第一工業製薬株式会社 2024-02-08 — — WO disclosed
EP-4261830-A1 NOVEL PEPTIDOMIMETIC COMPOUND AND DESIGN Oita University Institute of Advanced Medicine, Inc. (JP) 2023-10-18 — — EP disclosed
US-11780841-B2 3,6-methano-1H-pyrrolo[3,2-b]pyridine and 3,6-methano-1H-pyrrolo[3,2-c]pyridine compounds and medicaments using same IRIMAJIRI THERAPEUTICS INC. (JP) 2023-10-10 — — US disclosed
EP-3036244-B1 PROCESS FOR THE PREPARATION OF 2,2'-BIS-INDENYL BIPHENYL LIGANDS AND THEIR METALLOCENE COMPLEXES SAUDI BASIC IND CORP (SA) 2023-08-02 — — EP disclosed
EP-1013670-A1 Process for the polymerisation of olefins DSM N.V. (NL) 2000-06-28 — — EP disclosed
WO-1999028358-A1 CATALYST COMPOSITION COMPRISING A REDUCED TRANSITION METAL COMPLEX AND A COCATALYST DSM N.V. (NL) 1999-06-10 — — WO disclosed
EP-0919571-A1 Catalyst composition comprising a reduced transition metal complex and a cocatalyst DSM N.V. (NL) 1999-06-02 — — EP disclosed
EP-0641360-B1 PREPARATION OF ADDITION POLYMERIZATION CATALYSTS VIA LEWIS ACID MITIGATED METAL CENTER OXIDATION DOW CHEMICAL CO (US) 1997-10-01 — — EP disclosed
EP-0641360-A1 PREPARATION OF ADDITION POLYMERIZATION CATALYSTS VIA LEWIS ACID MITIGATED METAL CENTER OXIDATION. DOW CHEMICAL CO (US) 1995-03-08 — — EP disclosed
EP-0632819-A1 ADDITION POLYMERIZATION CATALYSTS COMPRISING REDUCED OXIDATION STATE METAL COMPLEXES THE DOW CHEMICAL COMPANY (US) 1995-01-11 — — EP disclosed
WO-1994021693-A1 PREPARATION OF ADDITION POLYMERIZATION CATALYSTS VIA LEWIS ACID MITIGATED METAL CENTER OXIDATION THE DOW CHEMICAL COMPANY (US) 1994-09-29 — — WO disclosed
WO-1993019104-A1 ADDITION POLYMERIZATION CATALYSTS COMPRISING REDUCED OXIDATION STATE METAL COMPLEXES THE DOW CHEMICAL COMPANY (US) 1993-09-30 — — WO 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-11780841-B2 3,6-methano-1H-pyrrolo[3,2-b]pyridine and 3,6-methano-1H-pyrrolo[3,2-c]pyridine compounds and medicaments using same AVPR1B, AVPR2, F12 C5AR1 3950/4885CYP1A2 1194/4885PTPN1 979/4885

“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.