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SCHEMBL10135488

SCHEMBL10135488

CCCCN(c1nc(NCCCN(CCCNc2nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)n2)CCCN(CCCNc2nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)n2)CCCNc2nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)n2)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 1/20 0.33
▸ NPY5R Q15761 1/20 0.33
▸ SLC29A1 Q99808 1/20 0.30

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
SCHEMBL12048648 0.99 NPY1R (0.32) NPY1RNPY5R
SCHEMBL10167577 0.99 NPY1R (0.33) NPY1RNPY5RSLC29A1
SCHEMBL10135468 0.98 NPY1R (0.33) NPY1RNPY5RSLC29A1
SCHEMBL10135470 0.98 NPY1R (0.33) NPY1RNPY5RSLC29A1
SCHEMBL10135477 0.97 NPY1R (0.32) NPY1RNPY5R
SCHEMBL10135489 0.97 NPY1R (0.32) NPY1RNPY5R
SCHEMBL13415267 0.96 KMT2A (0.33) NPY1RNPY5R
SCHEMBL13415258 0.96 KMT2A (0.33) NPY1RNPY5R
SCHEMBL13415262 0.96 KMT2A (0.33) NPY1RNPY5R
SCHEMBL13415264 0.94 KMT2A (0.34) NPY1RNPY5RSLC29A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354529-B2 Polyamine derivative and polyol derivative BASF SE (DE) 2013-01-15 — — US disclosed
US-8354529-B2 Polyamine derivative and polyol derivative BASF SE (DE) 2013-01-15 — — US disclosed
US-20120053270-A1 POLYAMINE DERIVATIVE AND POLYOL DERIVATIVE MITA NARUYOSHI (JP) 2012-03-01 — — US disclosed
US-20120053270-A1 POLYAMINE DERIVATIVE AND POLYOL DERIVATIVE MITA NARUYOSHI (JP) 2012-03-01 — — US disclosed
US-8076478-B2 Stabilizer; photostability, heat resistance, ozone resistance, oxidation resistance, electromagnetic resistance BASF SE (DE) 2011-12-13 — — US disclosed
US-20080230743-A1 Polyamine Derivative and Polyol Derivative CIBA CORPORATION 2008-09-25 — — US 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-20120053270-A1 POLYAMINE DERIVATIVE AND POLYOL DERIVATIVE H1-0, H1-3, NPM1 NPY1R 1165/4885NPY5R 1509/4885SLC29A1 1760/4885
US-20080230743-A1 Polyamine Derivative and Polyol Derivative H1-0, H1-3, H1-2 NPY1R 1442/4885NPY5R 1435/4885SLC29A1 1521/4885

“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.