SCHEMBL742952

SCHEMBL742952

O=C(O)C1CCN(c2ccncc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.60
ITGA2B P08514 5/20 0.60
NOTUM Q6P988 4/20 0.57
KDM4E B2RXH2 2/20 0.57
CYP2C19 P33261 1/20 0.57
LSS P48449 2/20 0.54
CHKA P35790 1/20 0.52
NEK2 P51955 1/20 0.51
AKR1C3 P42330 1/20 0.51
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
USP2 O75604 1/20 0.49
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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 SCHEMBL3319271 0.98 ITGB3 (0.59) ITGB3ITGA2BNOTUMKDM4ECYP2C19
Trifluoroacetic Acid SCHEMBL1648792 0.91 ITGB3 (0.56) ITGB3ITGA2BNOTUMKDM4ECYP2C19
SCHEMBL8838123 0.88 ITGB3 (0.70) ITGB3ITGA2BCYP2C19LSSAKR1C3
SCHEMBL2780304 0.84 CYP3A4 (0.54) ITGB3ITGA2BKDM4ELSSCHKA
SCHEMBL3166233 0.84 LSS (0.50) ITGB3ITGA2BNOTUMLSSCHKA
SCHEMBL16887557 0.84 CYP2C9 (0.53) ITGB3ITGA2BLSSCHKA
SCHEMBL5223348 0.84 LSS (0.50) ITGB3ITGA2BNOTUMLSSCHKA
SCHEMBL1222301 0.83 NOTUM (0.79) NOTUMKDM4ECYP2C19AKR1C3
Hydrochloric Acid SCHEMBL6798939 0.83 LSS (0.49) ITGB3ITGA2BLSSCHKAAKR1C3
SCHEMBL6769264 0.83 LSS (0.50) ITGB3ITGA2BNOTUMLSSCHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487505-B2 Heteroaryl-substituted 1,3-dihydroindol-2-one derivatives and medicaments containing them AbbVie Deutschland GmbH & Co. KG (DE) 2016-11-08 US claimed
EP-1667993-B1 HETEROARYL-SUBSTITUTED 1,3-DIHYDROINDOL-2-ONE DERIVATIVES AND MEDICAMENTS CONTAINING THEM ABBVIE DEUTSCHLAND (DE) 2015-07-01 EP claimed
EP-1684744-A4 PYRROLIDINE AND PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-12-17 EP claimed
EP-1684744-A2 PYRROLIDINE AND PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2006-08-02 EP claimed
US-20050119266-A1 Pyrrolidine and piperidine derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-06-02 US claimed
WO-2005032472-A2 PYRROLIDINE AND PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-14 WO claimed
US-20260001838-A1 NANOMATERIALS GUIDE THERAPEUTICS LLC (US) 2026-01-01 US disclosed
US-12435035-B2 Nanomaterials GUIDE THERAPEUTICS, LLC (US) 2025-10-07 US disclosed
CN-119684140-A Nanomaterial for the preparation of a nanoparticle 盖德治疗有限责任公司 2025-03-25 CN disclosed
US-20250000797-A1 NANOMATERIALS GUIDE THERAPEUTICS, LLC 2025-01-02 US disclosed
CN-115175894-B Nanomaterial for the preparation of a nanoparticle 盖德治疗有限责任公司 2024-09-06 CN disclosed
EP-4103542-A1 NANOMATERIALS Guide Therapeutics, LLC (US) 2022-12-21 EP disclosed
EP-4069675-A1 NANOMATERIALS Guide Therapeutics, LLC (US) 2022-10-12 EP disclosed
US-5556977-A ANTIAGGLOMERANTS FOR CELLS, ANTICOAGULANTS, ANTIISCHEMIC AGENTS USING PYRIDINYLPIPERAZINE DERIVATIVES ZENECA LIMITED (GB) 1996-09-17 US disclosed
CN-1120334-A Heterocyclic derivatives as platelet aggregation inhibitors ZENECA LTD (GB) 1996-04-10 CN disclosed
WO-1996010022-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1996-04-04 WO disclosed
EP-0691959-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-17 EP disclosed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP disclosed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed
WO-1994022834-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 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 (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-20260001838-A1 NANOMATERIALS SLC10A1, NPC1L1, FABP1 ITGB3 1420/4885ITGA2B 1579/4885NOTUM 3873/4885
US-20050119266-A1 Pyrrolidine and piperidine derivatives as factor Xa inhibitors PEPD, SERPINE1, PRSS1 ITGB3 4003/4885ITGA2B 3663/4885NOTUM 384/4885
US-20250000797-A1 NANOMATERIALS POLRMT, PHOSPHO1, FABP1 ITGB3 1473/4885ITGA2B 1212/4885NOTUM 4381/4885
US-12435035-B2 Nanomaterials NPC1, NPC1L1, FABP1 ITGB3 938/4885ITGA2B 383/4885NOTUM 4647/4885

“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.