SCHEMBL6834547

SCHEMBL6834547

CCOC(=O)CN1CCc2cc(O)ccc2C1=O

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 0.61
PIN1 Q13526 1/20 0.47
PIN4 Q9Y237 1/20 0.47
ITGB3 P05106 13/20 0.46
ITGA2B P08514 13/20 0.46
ALOX15 P16050 1/20 0.43
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 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
SCHEMBL8032994 0.88 AOC3 (0.49) AOC3ITGB3ITGA2B
SCHEMBL22713754 0.87 AOC3 (0.60) AOC3ITGB3ITGA2BPRMT5WDR77
SCHEMBL29505381 0.86 AOC3 (0.60) AOC3PIN1PIN4ITGB3ITGA2B
SCHEMBL14061622 0.86 AOC3 (0.60) AOC3PIN1PIN4ITGB3ITGA2B
SCHEMBL6833682 0.85 AOC3 (0.68) AOC3ITGB3ITGA2BPRMT5WDR77
SCHEMBL8467965 0.85 AOC3 (0.59) AOC3PIN1PIN4ITGB3ITGA2B
SCHEMBL4070429 0.83 AOC3 (0.56) AOC3PIN1PIN4ALOX15
SCHEMBL14062095 0.82 AOC3 (0.59) AOC3ITGB3ITGA2B
SCHEMBL7796015 0.81 ITGB3 (0.60) ITGB3ITGA2B
SCHEMBL29438592 0.81 PRMT5 (0.48) ITGB3ITGA2BPRMT5WDR77

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11396495-B2 Amine compound for inhibiting SSAO/VAP-1 and use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2022-07-26 US disclosed
US-11396495-B2 Amine compound for inhibiting SSAO/VAP-1 and use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2022-07-26 US disclosed
CN-109988109-B Amine compound for inhibiting SSAO/VAP-1 and application thereof 广东东阳光药业有限公司 2020-12-29 CN disclosed
US-20200377461-A1 AMINE COMPOUND FOR INHIBITING SSAO / VAP-1 AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-12-03 US disclosed
US-20040058915-A1 Compounds containing a bicyclic ring system useful as alpha v beta 3 antagonists PHARMACIA CORPORATION 2004-03-25 US disclosed
US-20020072518-A1 For therapy tumor metastasis, tumor growth, solid tumor growth, angiogenesis, osteoporosis, humoral hypercalcemia of malignancy, smooth muscle cell migration, restenosis, atheroscelorosis, macular degeneration, retinopathy PHARMACIA CORPORATION 2002-06-13 US disclosed
EP-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 EP disclosed
CN-1209060-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 1999-02-24 CN disclosed
CN-1209063-A Vitronection receptor antagonists SMITHKLINE BEECHAM CORP (US) 1999-02-24 CN disclosed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP disclosed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 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-20020072518-A1 For therapy tumor metastasis, tumor growth, solid tumor growth, angiogenesis, osteoporosis, humoral hypercalcemia of malignancy, smooth muscle cell migration, restenosis, atheroscelorosis, macular degeneration, retinopathy ITGB1, ITGB5, ITGB3 AOC3 2748/4885PIN1 4591/4885PIN4 4749/4885
US-20040058915-A1 Compounds containing a bicyclic ring system useful as alpha v beta 3 antagonists ITGB5, ITGB3, ITGAV AOC3 2547/4885PIN1 4285/4885PIN4 4678/4885
US-11396495-B2 Amine compound for inhibiting SSAO/VAP-1 and use thereof VCAM1, VAPB, ICAM1 AOC3 6/4885PIN1 3460/4885PIN4 1810/4885
US-20200377461-A1 AMINE COMPOUND FOR INHIBITING SSAO / VAP-1 AND USE THEREOF VCAM1, VAPB, ICAM1 AOC3 6/4885PIN1 3460/4885PIN4 1810/4885

“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.