SCHEMBL1845770

SCHEMBL1845770

CC(C)c1ccc(NCc2ccc(N3CCOCC3)nc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.70
▸ GAA P10253 4/20 0.70
▸ L3MBTL1 Q9Y468 3/20 0.70
▸ KDM4E B2RXH2 3/20 0.70
▸ ALOX12 P18054 3/20 0.70
▸ SMN1; SMN2 Q16637 3/20 0.70
▸ ALOX15 P16050 2/20 0.70
▸ MAPK1 P28482 2/20 0.70
▸ TDP1 Q9NUW8 2/20 0.70
▸ ALDH1A1 P00352 2/20 0.70
▸ RAB9A P51151 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ HTT P42858 3/20 0.48
▸ LMNA P02545 3/20 0.48
▸ TSHR P16473 2/20 0.48
▸ CYP11B1 P15538 1/20 0.47
▸ CYP11B2 P19099 1/20 0.47
▸ AOC3 Q16853 1/20 0.45
▸ PANK3 Q9H999 3/20 0.44
▸ PARP1 P09874 1/20 0.44

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
SCHEMBL4737532 0.84 GAA (0.51) MAPTGAAL3MBTL1KDM4EALOX12
SCHEMBL1911473 0.79 ALDH1A1 (0.55) MAPTGAAKDM4ESMN1; SMN2ALOX15
SCHEMBL3636527 0.78 MAPT (0.51) MAPTGAAL3MBTL1KDM4ESMN1; SMN2
SCHEMBL10154089 0.78 CYP11B1 (0.60) MAPTGAAKDM4ESMN1; SMN2ALOX15
SCHEMBL22279048 0.78 GAA (0.55) MAPTGAAL3MBTL1KDM4EALOX12
SCHEMBL12864110 0.77 CNR2 (0.66) MAPTGAAKDM4ESMN1; SMN2TDP1
SCHEMBL2449960 0.76 RAB9A (0.70) MAPTGAAL3MBTL1KDM4EALOX12
SCHEMBL8245080 0.75 CYP11B1 (0.56) MAPTGAAKDM4ESMN1; SMN2ALOX15
SCHEMBL12763799 0.75 MAPT (0.51) MAPTGAAKDM4ESMN1; SMN2TDP1
SCHEMBL1845515 0.74 NPC1 (0.51) MAPTGAAL3MBTL1KDM4EALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1318140-B9 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-05-21 — — EP disclosed
US-8198454-B2 Amide derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-12 — — US disclosed
EP-1318140-B1 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2011-05-18 — — EP disclosed
US-7855297-B2 Amide derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-12-21 — — US disclosed
US-20100041656-A1 Novel amide derivatives and medicinal use thereof NAKAMURA MITSUBARU 2010-02-18 — — US disclosed
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-07-15 — — US disclosed
EP-1318140-A1 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF UGS Mitsubishi Pharma Corporation (JP) 2003-06-11 — — 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-20100041656-A1 Novel amide derivatives and medicinal use thereof C5AR1, C5AR2, C3AR1 MAPT 728/4885GAA 3289/4885L3MBTL1 1629/4885
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs C5AR1, C5AR2, C1S MAPT 700/4885GAA 1702/4885L3MBTL1 1732/4885

“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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