SCHEMBL6500009

SCHEMBL6500009

O=C(Nc1ccc(N2CCN(C(=O)Cc3ccccn3)CC2)cc1)C1=C(c2ccc(C(F)(F)F)cc2)CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHGDH O43175 1/20 0.49
▸ TRPV1 Q8NER1 4/20 0.47
▸ ME2 P23368 1/20 0.45
▸ ME1 P48163 1/20 0.45
▸ ME3 Q16798 1/20 0.45
▸ MAPT P10636 4/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KLF5 Q13887 1/20 0.44
▸ CCNC P24863 1/20 0.44
▸ CDK8 P49336 1/20 0.44
▸ HTR1A P08908 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MCHR1 Q99705 1/20 0.42

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
SCHEMBL6488706 0.90 TRPV1 (0.49) TRPV1MAPTSMN1; SMN2PKMHTT
SCHEMBL6500969 0.87 CCNC (0.45) TRPV1ME2ME1ME3MAPT
SCHEMBL6503264 0.87 HTR1A (0.51) PHGDHTRPV1MAPTSMN1; SMN2NPC1
SCHEMBL6501892 0.86 TRPV1 (0.59) PHGDHTRPV1MAPTSMN1; SMN2NPC1
SCHEMBL6490499 0.83 ME2 (0.43) ME2ME1ME3MAPTHTT
SCHEMBL6489848 0.83 CCNC (0.44) PHGDHME2ME1ME3MAPT
SCHEMBL6488729 0.82 TRPV1 (0.51) TRPV1
SCHEMBL6489031 0.82 HTR2A (0.51) TRPV1
SCHEMBL6502046 0.81 ME2 (0.41) ME2ME1ME3MAPTHTT
SCHEMBL6488120 0.81 HTR2A (0.50) TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors DAISO CO., LTD. (JP) 2005-02-17 — — US disclosed
EP-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 — — EP disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 — — 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-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 PHGDH 4777/4885TRPV1 2245/4885ME2 1669/4885

“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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