SCHEMBL5963378

SCHEMBL5963378

CCCC1CCCC(=O)N1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.35
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
IRAK4 Q9NWZ3 2/20 0.32
ALOX5 P09917 2/20 0.32
PDCD1LG2 Q9BQ51 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
CTSD P07339 1/20 0.32
CRBN Q96SW2 1/20 0.31
TP53 P04637 1/20 0.31
PDE9A O76083 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31

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
SCHEMBL6444135 0.94 NOS1 (0.37) ARNOS3NOS1NOS2ALDH1A1
SCHEMBL2731412 0.88
SCHEMBL13484265 0.88
SCHEMBL13484370 0.88
SCHEMBL3499721 0.87 ALDH1A1 (0.47) ALDH1A1L3MBTL1ALOX5TP53
SCHEMBL14285557 0.83
SCHEMBL94282 0.83
SCHEMBL1423906 0.83 ALDH1A1 (0.41) NOS1NOS2ALDH1A1L3MBTL1ALOX5
SCHEMBL9800093 0.82 ALDH1A1 (0.46) NOS1NOS2ALDH1A1L3MBTL1ALOX5
SCHEMBL7717336 0.82 CYP1A2 (0.42) NOS1NOS2ALDH1A1L3MBTL1CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112334527-A Foam particles based on long-chain polyamides 巴斯夫欧洲公司 2021-02-05 CN disclosed
CN-106029776-B Molding materials based on vinyl aromatic/diene block copolymers for 3-D printing 英力士苯领集团股份公司 2019-12-31 CN disclosed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US disclosed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 US disclosed
CN-1317790-C Nonaqueous electrolyte and secondary lithium battery using the same MITSUBISHI CHEM CORP (JP) 2007-05-23 CN disclosed
US-20060172201-A1 Non-aqueous electrolyte and lithium secondary battery using the same MITSUBISHI CHEMICAL CORPORATION (JP) 2006-08-03 US 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
EP-1357628-A1 NONAQUEOUS ELECTROLYTIC LIQUIDS AND LITHIUM SECONDARY BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2003-10-29 EP 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
CN-1411619-A Nonaqueous electrolyte and secondary lithium battery using the same MITSUBISHI CHEM CORP (JP) 2003-04-16 CN 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
US-4083689-A Solid ε-caprolactam dyestuff preparations BAYER AKTIENGESELLSCHAFT (DT) 1978-04-11 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 (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 AR 3907/4885NOS3 3/4885NOS1 1/4885
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 AR 3264/4885NOS3 1392/4885NOS1 2157/4885
US-20040019019-A1 Pyrrolo[1,2-b][1,2,4]oxadiazine diones useful as nitric oxide synthase inhibitors NOS1, NOS2, NOS3 AR 4605/4885NOS3 3/4885NOS1 1/4885

“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.