SCHEMBL6479341

SCHEMBL6479341

CCCCCCCCCCCCCCN1CCN(Cc2ccc(CC#N)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
TP53 P04637 2/20 0.51
GAA P10253 2/20 0.51
HPGD P15428 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PLA2G2A P14555 3/20 0.51
SIGMAR1 Q99720 1/20 0.49
ALDH1A1 P00352 1/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 1/20 0.47
CCR3 P51677 1/20 0.45

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
SCHEMBL6487420 0.86 KDM4E (0.63) GAAPLA2G2ASIGMAR1KDM4ELMNA
SCHEMBL6480409 0.83 PLA2G2A (0.60) NPC1RAB9ATP53GAAHPGD
SCHEMBL22802254 0.81 ALDH1A1 (0.64) NPC1RAB9ATP53GAAHPGD
SCHEMBL3594477 0.81 LMNA (0.61) NPC1RAB9ATP53HPGDALDH1A1
SCHEMBL6479419 0.80 PLA2G2A (0.57) PLA2G2ASIGMAR1
SCHEMBL12040820 0.80 CCR3 (0.70) SIGMAR1KDM4ELMNACCR3
SCHEMBL22802252 0.80 ALDH1A1 (0.66) NPC1RAB9ATP53GAAHPGD
SCHEMBL8723260 0.80 CCR3 (0.70) SIGMAR1KDM4ELMNACCR3
SCHEMBL15800706 0.80 CCR3 (0.70) SIGMAR1KDM4ELMNACCR3
SCHEMBL4555241 0.78 ALDH1A1 (0.60) NPC1RAB9ATP53GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1612868-A Ethylene derivative and use as phophatidase YANG JI CHEMICAL COMPANY LTD (KR) 2005-05-04 CN disclosed
US-20050075345-A1 Novel inhibitor compounds specific of secreted non-pancreatic human a<sb>2</sb>phospholipase of group II YANG JI CHEMICAL COMPANY LTD. (KR) 2005-04-07 US disclosed
EP-1456186-A1 NOVEL INHIBITOR COMPOUNDS SPECIFIC OF SECRETED NON-PANCREATIC HUMAN A SB 2 /SB PHOSPHOLIPASE OF GROUP II Yang Ji Chemical Company Ltd. (KR) 2004-09-15 EP disclosed
WO-2003048139-A1 NOVEL INHIBITOR COMPOUNDS SPECIFIC OF SECRETED NON-PANCREATIC HUMAN A2 PHOSPHOLIPASE OF GROUP II YANG JI CHEMICAL COMPANY LTD. (KR) 2003-06-12 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 (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-20050075345-A1 Novel inhibitor compounds specific of secreted non-pancreatic human a<sb>2</sb>phospholipase of group II AMY2A, PNLIP, IAPP NPC1 2640/4885RAB9A 599/4885TP53 3676/4885

“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.