SCHEMBL2651932

SCHEMBL2651932

CC(=O)N1CCC(c2cccc(N)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.60
NPY5R Q15761 1/20 0.44
KDM4E B2RXH2 1/20 0.44
BRD4 O60885 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
CREBBP Q92793 1/20 0.44
PARP1 P09874 1/20 0.43
IKBKE Q14164 1/20 0.43
TBK1 Q9UHD2 1/20 0.43
CASP6 P55212 1/20 0.43
GFER P55789 1/20 0.43
PIK3CD O00329 1/20 0.43
MCHR1 Q99705 1/20 0.43
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
SOS1 Q07889 1/20 0.42
SLC9A1 P19634 2/20 0.42
PARP10 Q53GL7 1/20 0.42
ADRA1D P25100 1/20 0.42

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
SCHEMBL4615095 0.86 NPC1 (0.45) QDPRALDH1A1POLBKCNH2HRH3
SCHEMBL23123330 0.84 MEN1 (0.43) QDPRALDH1A1CASP6GFERHTR2A
SCHEMBL19711151 0.83 QDPR (0.61) QDPRMCHR1SOS1
SCHEMBL7482001 0.83 QDPR (0.66) QDPR
SCHEMBL3531340 0.82 TLR9 (0.47) QDPRHRH3SOS1
SCHEMBL19658654 0.82 QDPR (0.60) QDPRNPY5RPARP10
SCHEMBL1091809 0.82 QDPR (0.60) QDPRNPY5RKDM4EBRD4ALDH1A1
SCHEMBL13830735 0.81 TPSAB1 (0.60) QDPRKCNH2
SCHEMBL30376009 0.81 GPR119 (0.54) KDM4EPDE4B
SCHEMBL835855 0.81 GPR119 (0.54) KDM4EPDE4B

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
US-20080114007-A1 5-OXO-5,8-DIHYDRO-PYRIDO-PYRIMIDINES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-15 US disclosed
WO-2008055013-A2 5-OXO-5,8 - DIHYDRO - PYRIDO - PYRIMIDINES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-08 WO disclosed
EP-1194410-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH AS (DK) 2006-01-18 EP disclosed
US-6936613-B2 Benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S (DK) 2005-08-30 US disclosed
CN-1167686-C Novel benzimidazole derivatives and pharmaceutical compsns. comprising these compounds О 2004-09-22 CN disclosed
US-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S 2004-05-20 US disclosed
US-6649609-B2 For inducing and maintaining anesthesia, sedation and muscle relaxation, as well as for combating febrile convulsions in children NEUROSEARCH A/S (DK) 2003-11-18 US disclosed
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds ANIONA APS (DK) 2003-03-20 US disclosed
CN-1356987-A Novel benzimidazole derivatives and pharmaceutical compsns. comprising these compounds NEUROSEARCH AS (DK) 2002-07-03 CN disclosed
EP-1194410-A1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2002-04-10 EP disclosed
EP-1169312-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-09 EP disclosed
WO-2000078728-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2000-12-28 WO disclosed
WO-2000058293-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-05 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-20080114007-A1 5-OXO-5,8-DIHYDRO-PYRIDO-PYRIMIDINES AS INHIBITORS OF C-FMS KINASE FLT3, FES, ALK QDPR 843/4885NPY5R 222/4885KDM4E 2073/4885
US-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 QDPR 732/4885NPY5R 899/4885KDM4E 851/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 QDPR 634/4885NPY5R 883/4885KDM4E 834/4885

“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.