SCHEMBL6797323

SCHEMBL6797323

O=C(O)CC1CCCCC(=O)N1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.55
ITGA5 P08648 2/20 0.55
ITGB3 P05106 2/20 0.55
ITGA2B P08514 2/20 0.55
ITGB2 P05107 1/20 0.55
ITGAV P06756 1/20 0.55
ITGB5 P18084 1/20 0.55
ITGAL P20701 1/20 0.55
SLC6A1 P30531 4/20 0.40
GABRA5 P31644 4/20 0.40
GABRB2 P47870 4/20 0.40
SLC6A12 P48065 4/20 0.40
SLC6A11 P48066 4/20 0.40
GABRA1 P14867 3/20 0.40
GABRR1 P24046 3/20 0.40
GABRA4 P48169 3/20 0.40
SLC6A13 Q9NSD5 3/20 0.34
CTSD P07339 1/20 0.33
POLB P06746 2/20 0.33
ALDH1A1 P00352 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
SCHEMBL11665810 0.94 ITGB3 (0.57) ITGB1ITGA5ITGB3ITGA2BITGB2
Adipic Acid SCHEMBL4902906 0.92 ITGB1 (0.47) ITGB1ITGA5ITGB3ITGA2BITGB2
SCHEMBL2558286 0.86 ITGB1 (0.61) ITGB1ITGA5ITGB3ITGA2BITGB2
SCHEMBL18705948 0.86 ITGB1 (0.61) ITGB1ITGA5ITGB3ITGA2BITGB2
SCHEMBL9621834 0.86 ITGB1 (0.61) ITGB1ITGA5ITGB3ITGA2BITGB2
SCHEMBL9860838 0.83 ITGB1 (0.37) ITGB1ITGA5ITGB3ITGA2BITGB2
Ammonia Solution, Strong SCHEMBL11055628 0.82 ITGB1 (0.36) ITGB1ITGA5ITGB3ITGA2BITGB2
SCHEMBL7627309 0.80 ITGB3 (0.44) ITGB1ITGA5ITGB3ITGA2BITGB2
SCHEMBL2984642 0.79 CREBBP (0.36) ITGB1ITGA5ITGB3ITGA2BITGB2
SCHEMBL31048256 0.79 CREBBP (0.36) ITGB1ITGA5ITGB3ITGA2BITGB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3985001-A1 PHARMACEUTICAL COMPOSITION USEFUL IN INHIBITING IDH1 Les Laboratoires Servier SAS (FR) 2022-04-20 EP disclosed
US-8541585-B2 N-acyl cyclic amine derivative or pharmaceutically acceptable salt thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-09-24 US disclosed
CN-102884059-A N-acyl cyclic amine derivatives or pharmaceutically acceptable salts thereof DAINIPPON SUMITOMO PHARMA CO 2013-01-16 CN disclosed
US-20120214790-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. 2012-08-23 US disclosed
WO-2011111875-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-15 WO disclosed
US-6774126-B2 Pyrrolo[1,2-b][1,2,4]oxadiazine diones useful as nitric oxide synthase inhibitors PHARMACIA CORPORATION 2004-08-10 US disclosed
US-20040019019-A1 Pyrrolo[1,2-b][1,2,4]oxadiazine diones useful as nitric oxide synthase inhibitors PHARMACIA CORPORATION 2004-01-29 US disclosed
US-6552052-B2 (2S,3Z)-2-amino-5-(6,7,8,9-tetrahydro-3-oxo-3H,5H -(1,2,4)oxadiazolo(4,3-a)azepin-5-yl)-3-pentenoic acid, for example MONSANTO/G.D. SEARLE 2003-04-22 US disclosed
US-6489323-B1 INHIBITING NO PRODUCTION FROM L-ARGININE, AS SEEN IN DISEASE STATES SUCH AS ARTHRITIS AND SYSTEMIC HYPOTENSION ASSOCIATED WITH SEPTIC AND/OR TOXIC SHOCK G.D. SEARLE & CO. 2002-12-03 US disclosed
US-20010044539-A1 Heterobicyclic and tricyclic nitric oxide synthase inhibitors HANSEN DONALD W (US) 2001-11-22 US disclosed
EP-1086108-A1 HETEROBICYCLIC AND TRICYCLIC NITRIC OXIDE SYNTHASE INHIBITORS G.D. Searle & Co. (US) 2001-03-28 EP disclosed
WO-1999064426-A1 HETEROBICYCLIC AND TRICYCLIC NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1999-12-16 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 (3 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-20010044539-A1 Heterobicyclic and tricyclic nitric oxide synthase inhibitors NOS1, NOS2, NOS3 ITGB1 4490/4885ITGA5 4784/4885ITGB3 4465/4885
US-20120214790-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF GRIN2C, GRIN2A, GRIN2B ITGB1 2529/4885ITGA5 2476/4885ITGB3 2791/4885
US-20040019019-A1 Pyrrolo[1,2-b][1,2,4]oxadiazine diones useful as nitric oxide synthase inhibitors NOS1, NOS2, NOS3 ITGB1 4251/4885ITGA5 4668/4885ITGB3 4676/4885

“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.