SCHEMBL5581470

SCHEMBL5581470

CN(C)CCCNC(=O)CC1CCCCN1C1CCCC(Nc2nccc(N3CCCCCC3)n2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 3/20 0.42
▸ CXCR4 P61073 2/20 0.38
▸ CCNK O75909 1/20 0.37
▸ CDK12 Q9NYV4 1/20 0.37
▸ MAPK8 P45983 4/20 0.36
▸ IDH1 O75874 3/20 0.35
▸ ACACB O00763 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ NOS2 P35228 2/20 0.35
▸ HSD11B1 P28845 1/20 0.34
▸ CDK2 P24941 2/20 0.34
▸ MAPK9 P45984 2/20 0.34
▸ JUN P05412 1/20 0.34
▸ CCNB2 O95067 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ CCNB3 Q8WWL7 1/20 0.34

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
SCHEMBL13696558 0.82 HRH4 (0.38) HRH4CXCR4CCNKCDK12MAPK8
SCHEMBL2010696 0.82 HRH4 (0.38) HRH4CXCR4CCNKCDK12MAPK8
SCHEMBL4114629 0.75 HRH4 (0.47) HRH4CXCR4MAPK8MAPK9CCNB2
SCHEMBL4113776 0.73 HRH4 (0.48) HRH4CXCR4MAPK8MAPK9CCNB2
SCHEMBL2012554 0.71 CXCR4 (0.45) HRH4CXCR4CCNKCDK12HSD11B1
SCHEMBL13696542 0.71 CXCR4 (0.45) HRH4CXCR4CCNKCDK12HSD11B1
SCHEMBL14391832 0.71 CXCR4 (0.45) HRH4CXCR4CCNKCDK12HSD11B1
SCHEMBL1090334 0.71 HRH4 (0.57) HRH4CXCR4MAPK8IDH1CDK2
SCHEMBL13696544 0.71 CXCR4 (0.45) HRH4CXCR4CCNKCDK12HSD11B1
SCHEMBL2011381 0.71 CXCR4 (0.45) HRH4CXCR4CCNKCDK12HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070203089-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF OPHTHALMIC DISEASE ALLERGAN, INC. 2007-08-30 — — US claimed

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-20070203089-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF OPHTHALMIC DISEASE CXCL12, CXCR4, PDE6C HRH4 2600/4885CXCR4 2/4885CCNK 2786/4885

“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.

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