SCHEMBL6543647

SCHEMBL6543647

C1=CC(N2CCOCC2)CCC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
GRM5 P41594 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
CYP2A13 Q16696 1/20 0.31
APOBEC3G Q9HC16 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
SCHEMBL9789988 0.94 L3MBTL1 (0.41) L3MBTL1GRM5L3MBTL3SMN1; SMN2ALDH1A1
SCHEMBL2235706 0.88 L3MBTL1 (0.44) L3MBTL1GRM5L3MBTL3SMN1; SMN2ALDH1A1
SCHEMBL11454847 0.83 ALDH1A1 (0.34) L3MBTL1L3MBTL3ALDH1A1HPGDAPOBEC3G
SCHEMBL27811174 0.81 ALDH1A1 (0.33) ALDH1A1HPGDAPOBEC3G
SCHEMBL738007 0.79 L3MBTL1 (0.40) L3MBTL1GRM5L3MBTL3SMN1; SMN2ALDH1A1
SCHEMBL7008001 0.79
SCHEMBL3355983 0.77 OPRL1 (0.33) ALDH1A1HPGDAPOBEC3G
SCHEMBL7369318 0.77 CYP2D6 (0.31)
SCHEMBL6370243 0.73 L3MBTL1 (0.39) L3MBTL1GRM5L3MBTL3SMN1; SMN2ALDH1A1
SCHEMBL736704 0.73 L3MBTL1 (0.39) L3MBTL1GRM5L3MBTL3SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101970572-B Photocurable composition SEKISUI CHEMICAL CO LTD 2014-01-29 CN disclosed
CN-100516049-C Antiangiogenic agent N2Synthesis of- (substituted arylmethyl) -3- (substituted phenyl) indazoles YUNG SHIN PHARM IND CO LTD (CN) 2009-07-22 CN disclosed
CN-1962640-A Novel anti-angiogenic drug N2Synthesis of- (substituted arylmethyl) -3- (substituted phenyl) indazoles YUNG SHIN PHARM IND CO LTD (CN) 2007-05-16 CN disclosed
EP-1259475-A4 TRANSITION METAL-CATALYZED PROCESS FOR ADDITION OF AMINES TO CARBON-CARBON DOUBLE BONDS UNIV YALE (US) 2004-08-18 EP disclosed
CN-1117077-C 6-phenylpyridyl-2-amine derivatives useful as NOS inhibitors PFIZER (US) 2003-08-06 CN disclosed
CN-1105706-C Cyclic amidino formulations useful as nitric oxide synthase inhibitors SEARLE & CO (US) 2003-04-16 CN disclosed
EP-1259475-A1 TRANSITION METAL-CATALYZED PROCESS FOR ADDITION OF AMINES TO CARBON-CARBON DOUBLE BONDS YALE UNIVERSITY (US) 2002-11-27 EP disclosed
US-6384282-B2 CATALYST IS REACTION PRODUCT OF GROUP 8 METAL AND LIGAND YALE UNIVERSITY 2002-05-07 US disclosed
US-20020016509-A1 Transition metal-catalyzed process for addition of amines to carbon-carbon double bonds YALE UNIVERSITY 2002-02-07 US disclosed
WO-2001064620-A1 TRANSITION METAL-CATALYZED PROCESS FOR ADDITION OF AMINES TO CARBON-CARBON DOUBLE BONDS YALE UNIVERSITY (US) 2001-09-07 WO disclosed
CN-1305993-A Cyclic guanyl preparation used as nitrogen oxide synthetic enzyme inhibitor SEARLE & CO (US) 2001-08-01 CN disclosed
CN-1239952-A 6-phenylpyridyl-2-amine derivatives useful as NOS inhibitors PFIZER (US) 1999-12-29 CN disclosed
CN-1189823-A Cyclic amidino formulations useful as nitric oxide synthase inhibitors SEARLE & CO (US) 1998-08-05 CN 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 (1 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-20020016509-A1 Transition metal-catalyzed process for addition of amines to carbon-carbon double bonds COASY, CMA1, ATIC L3MBTL1 3322/4885GRM5 1400/4885L3MBTL3 2634/4885

“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.