SCHEMBL13629848

SCHEMBL13629848

CN(C)[C@@H]1CCN(C2=NC(=O)/C(=C/c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)S2)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MEN1 O00255 6/20 0.41
▸ KMT2A Q03164 6/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ PIM1 P11309 1/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ PIM2 Q9P1W9 1/20 0.39
▸ GFER P55789 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ PTGS1 P23219 4/20 0.39
▸ PTGS2 P35354 3/20 0.39
▸ ALOX5 P09917 1/20 0.38
▸ AMY1A P0DUB6 1/20 0.38
▸ RAB9A P51151 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ SENP1 Q9P0U3 1/20 0.37

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
SCHEMBL13616346 0.86 MEN1 (0.47) ALDH1A1MAPTMAPK1NPSR1MEN1
SCHEMBL13629852 0.80 MEN1 (0.46) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL13629853 0.80 MEN1 (0.46) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL4341594 0.78 SENP1 (0.62) ALDH1A1NPSR1MEN1KMT2ANPC1
SCHEMBL4351015 0.78 SENP1 (0.62) ALDH1A1NPSR1MEN1KMT2ANPC1
SCHEMBL4341599 0.78 SENP1 (0.62) ALDH1A1NPSR1MEN1KMT2ANPC1
SCHEMBL4351018 0.78 SENP1 (0.62) ALDH1A1NPSR1MEN1KMT2ANPC1
SCHEMBL13616315 0.78 SENP1 (0.62) ALDH1A1NPSR1MEN1KMT2ANPC1
SCHEMBL13629842 0.78 SENP1 (0.62) ALDH1A1NPSR1MEN1KMT2ANPC1
SCHEMBL13616349 0.77 MEN1 (0.49) ALDH1A1MAPTMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275538-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS UNIVERSITE LAVAL (CA) 2009-11-05 — — US disclosed
WO-2009097695-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS CHLORION PHARMA, INC. (CA) 2009-08-13 — — 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-20090275538-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS OPRL1, OPRK1, AHR ALDH1A1 211/4885MAPT 3804/4885MAPK1 2588/4885

“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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