SCHEMBL4556631

SCHEMBL4556631

[CH]1CCN(Cc2cccnc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.74
CHRNA4 P43681 1/20 0.74
KDM4E B2RXH2 5/20 0.56
ALDH1A1 P00352 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
TRPV6 Q9H1D0 2/20 0.55
DRD2 P14416 2/20 0.54
DRD4 P21917 2/20 0.54
DRD3 P35462 2/20 0.54
CASP1 P29466 1/20 0.52
CASP4 P49662 1/20 0.52
CASP5 P51878 1/20 0.52
GFER P55789 1/20 0.51
POLB P06746 1/20 0.50

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
SCHEMBL6396594 0.90 CHRNB2 (0.65) CHRNB2CHRNA4KDM4EALDH1A1TDP1
SCHEMBL16026435 0.89 CHRNB2 (0.85) CHRNB2CHRNA4KDM4EALDH1A1TDP1
N-(3-Pyridylmethyl)Pyrrolidine SCHEMBL1538320 0.85 CHRNB2 (1.00) CHRNB2CHRNA4KDM4EALDH1A1TDP1
N-(3-Pyridylmethyl)Pyrrolidine SCHEMBL30341021 0.85 CHRNB2 (1.00) CHRNB2CHRNA4KDM4EALDH1A1TDP1
SCHEMBL30711590 0.85 CHRNB2 (0.93) CHRNB2CHRNA4KDM4EALDH1A1TDP1
N-(3-Pyridylmethyl)Pyrrolidine SCHEMBL27432542 0.84 CHRNB2 (0.96) CHRNB2CHRNA4KDM4EALDH1A1TDP1
Bromide SCHEMBL28127803 0.84 CHRNB2 (0.89) CHRNB2CHRNA4KDM4EALDH1A1TDP1
SCHEMBL5166215 0.84 CHRNB2 (0.96) CHRNB2CHRNA4KDM4EALDH1A1TDP1
SCHEMBL15800693 0.84 CHRNB2 (0.77) CHRNB2CHRNA4KDM4EALDH1A1TDP1
SCHEMBL1365626 0.82 CHRNB2 (0.74) CHRNB2CHRNA4KDM4EALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9227955-B2 Compound having angiogenesis inhibitory activity, method for preparing same, and pharmaceutical composition comprising same BORYUNG PHARMACEUTICAL CO., LTD. (KR) 2016-01-05 US claimed
US-20140256711-A1 Novel Compound Having Angiogenesis Inhibitory Activity, Method for Preparing Same, and Pharmaceutical Composition Comprising Same BORYUNG PHARMACEUTICAL CO., LTD. (KR) 2014-09-11 US claimed
CN-102153562-A Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC 2011-08-17 CN claimed
CN-101184761-A Spiro-indolone compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2008-05-21 CN claimed
US-9227955-B2 Compound having angiogenesis inhibitory activity, method for preparing same, and pharmaceutical composition comprising same BORYUNG PHARMACEUTICAL CO., LTD. (KR) 2016-01-05 US disclosed
US-20140256711-A1 Novel Compound Having Angiogenesis Inhibitory Activity, Method for Preparing Same, and Pharmaceutical Composition Comprising Same BORYUNG PHARMACEUTICAL CO., LTD. (KR) 2014-09-11 US disclosed
CN-103271906-A Use of spiro-oxindole compounds as therapeutic agents XENON PHARMACEUTICALS INC 2013-09-04 CN disclosed
CN-101631546-A Use of spiro-indolone compounds as therapeutic agents XENON PHARMACEUTICALS INC 2010-01-20 CN disclosed
EP-1397137-B1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL MYERS SQUIBB CO (US) 2009-10-14 EP disclosed
EP-1397137-A4 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL MYERS SQUIBB CO (US) 2004-10-13 EP disclosed
EP-1149094-B1 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2004-04-21 EP disclosed
EP-1397137-A1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-03-17 EP disclosed
WO-2002096426-A1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-05 WO disclosed
US-6376491-B1 BENZOFURAN DERIVATIVES FOR TREATMENT OR PREVENTION OF MYCOSIS IN MAMMALS BASILEA PHARMACEUTICA AG (CH) 2002-04-23 US disclosed
CN-1333770-A Novel Bicyclic Compounds BASLIER PHARMACEUTICAL AG (CH) 2002-01-30 CN disclosed
EP-1149094-A2 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS Basilea Pharmaceutica AG (CH) 2001-10-31 EP disclosed
WO-2000037464-A2 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2000-06-29 WO disclosed
EP-0625507-B1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO (JP) 1997-07-23 EP disclosed
US-5621010-A ANTIHYPERCHOLESTEROLEMIA AND ANTIATHEROSCLEROSIS NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-04-15 US disclosed
EP-0625507-A2 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1994-11-23 EP 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-20140256711-A1 Novel Compound Having Angiogenesis Inhibitory Activity, Method for Preparing Same, and Pharmaceutical Composition Comprising Same VEGFA, EDF1, FLT1 CHRNB2 4669/4885CHRNA4 4840/4885KDM4E 3719/4885

“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.