SCHEMBL954535

SCHEMBL954535

O=C(O)CCC1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.56
ITGA2B P08514 14/20 0.56
GABRA5 P31644 3/20 0.52
GABRB2 P47870 3/20 0.52
SLC6A1 P30531 2/20 0.52
SLC6A12 P48065 2/20 0.52
SLC6A11 P48066 2/20 0.52
SLC6A13 Q9NSD5 2/20 0.52
GABRA1 P14867 2/20 0.52
GABRA4 P48169 2/20 0.52
GABRR1 P24046 1/20 0.52
F2R P25116 6/20 0.49
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
TSHR P16473 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44

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
Hydrochloric Acid SCHEMBL3159636 0.98 ITGB3 (0.54) ITGB3ITGA2BGABRA5GABRB2SLC6A1
Acetic Acid SCHEMBL9210574 0.94 ITGB3 (0.51) ITGB3ITGA2BGABRA5GABRB2SLC6A1
SCHEMBL5495308 0.92 ITGB3 (0.50) ITGB3ITGA2BGABRA5GABRB2SLC6A1
Trifluoroacetic Acid SCHEMBL29890740 0.90 ITGB3 (0.49) ITGB3ITGA2BGABRA5GABRB2SLC6A1
SCHEMBL5499043 0.87 SLC6A1 (0.64) ITGB3ITGA2BGABRA5GABRB2SLC6A1
SCHEMBL381083 0.87 ITGB3 (0.66) ITGB3ITGA2BGABRA5GABRB2SLC6A1
SCHEMBL29207730 0.87 SLC6A1 (0.64) ITGB3ITGA2BGABRA5GABRB2SLC6A1
SCHEMBL31370174 0.87 SLC6A1 (0.64) ITGB3ITGA2BGABRA5GABRB2SLC6A1
Hydrochloric Acid SCHEMBL25181844 0.85 SLC6A1 (0.62) ITGB3ITGA2BGABRA5GABRB2SLC6A1
Hydrochloric Acid SCHEMBL1532653 0.85 ITGB3 (0.64) ITGB3ITGA2BGABRA5GABRB2SLC6A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102656180-B As the feather fan alcohol type triterpene derivative of antiviral drug HETERO RESEARCH FOUNDATION (IN) 2016-04-20 CN claimed
US-8357654-B2 Multimeric CD40 ligands, method for preparing same and use thereof for preparing drugs CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-01-22 US claimed
US-20100183642-A1 NOVEL MULTIMERIC CD40 LIGANDS, METHOD FOR PREPARING SAME AND USE THEREOF FOR PREPARING DRUGS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-07-22 US claimed
US-20100136034-A1 NOVEL MULTIMERIC MOLECULES, A PROCESS FOR PREPARING THE SAME AND THE USE THEREOF FOR MANUFACTURING MEDICINAL DRUGS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-06-03 US claimed
EP-1828240-B1 NOVEL MULTIMERIC CD40 LIGANDS, METHOD FOR PREPARING SAME AND USE THEREOF FOR PREPARING DRUGS CENTRE NAT RECH SCIENT (FR) 2009-07-29 EP claimed
EP-0173585-B1 MEDICINES BASED ON PIPERIDINE DERIVATIVES, PIPERIDINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION RHONE-POULENC SANTE (FR) 1988-08-24 EP claimed
EP-3966226-B1 MASP INHIBITORY COMPOUNDS AND USES THEREOF BAYER AG (DE) 2025-12-24 EP disclosed
US-12503491-B2 MASP inhibitory compounds and uses thereof BAYER AKTIENGESELLSCHAFT (DE) 2025-12-23 US disclosed
US-20250230154-A1 COMPOUND HAVING SHP2 PROTEIN DEGRADING ACTIVITY, AND MEDICAL USES THEREOF UBIX THERAPEUTICS, INC. (KR) 2025-07-17 US disclosed
US-20250115598-A1 BIFUNCTIONAL ARYLSULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2025-04-10 US disclosed
WO-2025070731-A1 PEPTIDEPEPTIDE ペプチドリーム株式会社 2025-04-03 WO disclosed
WO-2025070720-A1 PEPTIDE ペプチドリーム株式会社 2025-04-03 WO disclosed
US-20250059218-A1 ENPP1 Inhibitors and Methods of Modulating Immune Response THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2025-02-20 US disclosed
EP-0035820-A2 Novel quinoline derivatives, pharmaceutical compositions containing such compounds, and method for the preparation of these compounds ACF CHEMIEFARMA NV (NL) 1981-09-16 EP disclosed
EP-0035819-A1 Quinoline derivatives, pharmaceutical compositions containing such compounds, and methods for the preparation of these compounds ACF Chemiefarma N.V. (NL) 1981-09-16 EP disclosed
EP-0035821-A1 Quinoline derivatives, pharmaceutical compositions containing such compounds, and method for the preparation of these compounds ACF Chemiefarma N.V. (NL) 1981-09-16 EP disclosed
US-4289772-A PHOSPHODIESTERASE INHIBITORS PFIZER INC. (US) 1981-09-15 US disclosed
EP-0030044-A1 Quinoline derivatives, processes for their preparation, their use, pharmaceutical compositions containing them and a method for the preparation of these pharmaceutical compositions ACF CHEMIEFARMA NV (NL) 1981-06-10 EP disclosed
US-4243666-A HYPOTENSIVE AGENTS PFIZER INC. (US) 1981-01-06 US disclosed
US-3983173-A ANTIBIOTIC HOECHST AKTIENGESELLSCHAFT (DT) 1976-09-28 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 (6 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-12503491-B2 MASP inhibitory compounds and uses thereof MASP2, SERPINB1, SPINT2 ITGB3 2938/4885ITGA2B 3093/4885GABRA5 3356/4885
US-20100183642-A1 NOVEL MULTIMERIC CD40 LIGANDS, METHOD FOR PREPARING SAME AND USE THEREOF FOR PREPARING DRUGS CD40, CD40LG, TNFSF10 ITGB3 1229/4885ITGA2B 1360/4885GABRA5 2541/4885
US-20250230154-A1 COMPOUND HAVING SHP2 PROTEIN DEGRADING ACTIVITY, AND MEDICAL USES THEREOF PTPN1, PTPN5, PTPN2 ITGB3 4825/4885ITGA2B 4642/4885GABRA5 3597/4885
US-20100136034-A1 NOVEL MULTIMERIC MOLECULES, A PROCESS FOR PREPARING THE SAME AND THE USE THEREOF FOR MANUFACTURING MEDICINAL DRUGS TNFRSF1A, TNFRSF9, CD40 ITGB3 1120/4885ITGA2B 757/4885GABRA5 264/4885
US-20250115598-A1 BIFUNCTIONAL ARYLSULPHONAMIDE COMPOUNDS MLKL, CASP1, CASP9 ITGB3 3939/4885ITGA2B 3908/4885GABRA5 4774/4885
US-20250059218-A1 ENPP1 Inhibitors and Methods of Modulating Immune Response ENPP1, STING1, ENPP2 ITGB3 4836/4885ITGA2B 4655/4885GABRA5 3223/4885

“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.