SCHEMBL427011

SCHEMBL427011

Cc1ccnc(OCCN2CCCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.56
LTA4H P09960 3/20 0.49
PTGS2 P35354 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
SIGMAR1 Q99720 4/20 0.48
KDM4E B2RXH2 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47

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
SCHEMBL14426350 0.98 SMN1; SMN2 (0.58) SMN1; SMN2LTA4HPTGS2TDP1SIGMAR1
SCHEMBL26157145 0.88 SMN1; SMN2 (0.43) SMN1; SMN2LTA4HSIGMAR1KDM4E
SCHEMBL430014 0.87 POLB (0.53) SIGMAR1
SCHEMBL2143957 0.84 LTA4H (0.51) SMN1; SMN2LTA4HPTGS2TDP1SIGMAR1
SCHEMBL26157168 0.83 SMN1; SMN2 (0.40) SMN1; SMN2TDP1SIGMAR1KDM4E
SCHEMBL15716661 0.81 LTA4H (0.51) LTA4HPTGS2SIGMAR1KDM4EL3MBTL1
SCHEMBL448151 0.81 SRC (0.50) SMN1; SMN2LTA4HPTGS2TDP1SIGMAR1
SCHEMBL18133481 0.81 HTT (0.59) SMN1; SMN2LTA4HPTGS2SIGMAR1KDM4E
SCHEMBL427032 0.80 SIGMAR1 (0.54) SMN1; SMN2SIGMAR1KDM4E
SCHEMBL448150 0.79 LOXL2 (0.51) SMN1; SMN2LTA4HPTGS2KDM4ECHRNB2

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
EP-2970323-B1 FUROPYRIDINES AS BROMODOMAIN INHIBITORS. GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO 2) LTD (GB) 2017-10-18 EP disclosed
WO-2017088738-A1 MODIFIED COMPOUND OF ANDROGRAPHOLIDE 南京明德新药研发股份有限公司 2017-06-01 WO disclosed
US-9663533-B2 Thieno[3,2-C]pyridin-4(5H)-ones as BET inhibitors GLAXOSMITHKLINE LLC (US) 2017-05-30 US disclosed
EP-2920183-B1 THIENO[3,2-C]PYRIDIN-4(5H)-ONES AS BET INHIBITORS GLAXOSMITHKLINE LLC (US) 2017-03-08 EP disclosed
US-20160297832-A1 THIENO[3,2-C]PYRIDIN-4(5H)-ONES AS BET INHIBITORS GLAXOSMITHKLINE LLC 2016-10-13 US disclosed
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-03-15 US disclosed
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-03-15 US disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
US-20070191447-A1 Novel heterocyclic compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-08-16 US disclosed
US-20070191447-A1 Novel heterocyclic compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-08-16 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-20160297832-A1 THIENO[3,2-C]PYRIDIN-4(5H)-ONES AS BET INHIBITORS BRD4, BET1, BRD3 SMN1; SMN2 2089/4885LTA4H 1381/4885PTGS2 901/4885
US-20070191447-A1 Novel heterocyclic compound OPRD1, GRIN3A, GRM3 SMN1; SMN2 3709/4885LTA4H 2031/4885PTGS2 1117/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO SMN1; SMN2 1829/4885LTA4H 417/4885PTGS2 347/4885

“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.