SCHEMBL2573545

SCHEMBL2573545

CCN(CC)Cc1ccc(-c2cn(CC3CCCCC3)c(C(C)(C)C)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
HRH3 Q9Y5N1 3/20 0.40
CNR2 P34972 4/20 0.38
CTSK P43235 1/20 0.35
HRH4 Q9H3N8 1/20 0.33
MTOR P42345 3/20 0.33
OXTR P30559 1/20 0.33
AVPR1A P37288 1/20 0.33
AVPR1B P47901 1/20 0.33
PIK3CA P42336 1/20 0.33
GSK3A P49840 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
KCNH2 Q12809 1/20 0.33
MCHR1 Q99705 1/20 0.33
ACVR1 Q04771 1/20 0.32
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32

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
SCHEMBL2572447 0.84 MTOR (0.45) NPC1RAB9ACNR2MTORPIK3CA
SCHEMBL2570032 0.84 RAB9A (0.42) NPC1RAB9ACNR2MTORPIK3CA
SCHEMBL2570511 0.82 RAB9A (0.40) NPC1RAB9ACNR2MTORPIK3CA
SCHEMBL2569347 0.81 CNR1 (0.37) NPC1RAB9ACNR2KCNH2
SCHEMBL2570252 0.80 OPRD1 (0.43) NPC1RAB9AHRH3CNR2OPRM1
SCHEMBL2572728 0.80 NPC1 (0.58) NPC1RAB9ACNR2
SCHEMBL2566387 0.78 MTOR (0.48) NPC1RAB9ACNR2MTORPIK3CA
SCHEMBL2573388 0.77 BRD4 (0.42) CNR2MTORPIK3CAGSK3A
SCHEMBL2573456 0.74 ALDH1A1 (0.45) NPC1RAB9AHRH3PARP1
SCHEMBL3419241 0.74 TLR8 (0.39) NPC1RAB9ACNR2MTORPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289502-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-11-15 US disclosed
US-8273738-B2 Imidazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-09-25 US disclosed
EP-2090570-B1 IMIDAZOLE DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2011-11-09 EP disclosed
US-20100152178-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-17 US disclosed
EP-2090570-A1 IMIDAZOLE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-08-19 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 (2 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-20120289502-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 NPC1 543/4885RAB9A 1616/4885HRH3 123/4885
US-20100152178-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 NPC1 543/4885RAB9A 1616/4885HRH3 123/4885

“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.