SCHEMBL13701705

SCHEMBL13701705

CCCN(CCC)c1ncccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.44
KCNH2 Q12809 2/20 0.44
AGTR1 P30556 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP2D6 P10635 3/20 0.41
KCNE1 P15382 1/20 0.41
AGTR2 P50052 1/20 0.40
CYP2C19 P33261 2/20 0.38
LMNA P02545 2/20 0.37
HCAR3 P49019 1/20 0.36
HTT P42858 1/20 0.36
MAP3K5 Q99683 1/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL16544497 0.91 UTS2R (0.41) KCNA5KCNH2AGTR1MEN1NPC1
SCHEMBL28232057 0.83 DNM1 (0.42) KCNA5KCNH2NPC1RAB9ASMN1; SMN2
SCHEMBL28220432 0.81 DNM1 (0.46) KCNA5KCNH2NPC1RAB9ASMN1; SMN2
SCHEMBL4723984 0.80 MAPT (0.41) AGTR1MEN1NPC1RAB9AKMT2A
SCHEMBL26296867 0.78 MAPT (0.39) MAPTSMN1; SMN2HCAR3HTTMAP3K5
SCHEMBL1554369 0.78 MAPT (0.39) KCNA5KMT2AMAPTCYP2D6KCNE1
SCHEMBL9272657 0.77 KCNA5 (0.42) KCNA5KCNH2AGTR1MEN1NPC1
SCHEMBL12874146 0.77 CRHR1 (0.40) MEN1NPC1RAB9AKMT2AMAPT
SCHEMBL16316871 0.77 CRHR1 (0.44) KCNA5KCNH2MAPTSMN1; SMN2CYP2D6
SCHEMBL6446263 0.75 CYP2D6 (0.53) KCNA5KCNH2AGTR1MEN1NPC1

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-101006078-A Gonadotropin releasing hormone receptor antagonists WYETH CORP (US) 2007-07-25 CN claimed
CN-1759095-A N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARM INC (US) 2006-04-12 CN claimed
US-20090226411-A1 CHEMICAL DERIVATIVES AND THEIR APPLICATION AS ANTITELOMERASE AGENTS AVENTIS PHARMA S.A. (FR) 2009-09-10 US disclosed
CN-101006078-A Gonadotropin releasing hormone receptor antagonists WYETH CORP (US) 2007-07-25 CN 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-20090226411-A1 CHEMICAL DERIVATIVES AND THEIR APPLICATION AS ANTITELOMERASE AGENTS DPYD, NTPCR, NME1 KCNA5 4647/4885KCNH2 4642/4885AGTR1 2356/4885

“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.