SCHEMBL14569546

SCHEMBL14569546

CCC(=O)N1CCCC1CCc1ccc(C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ KCNH2 Q12809 1/20 0.43
▸ DPP4 P27487 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ SPHK1 Q9NYA1 3/20 0.41
▸ SPHK2 Q9NRA0 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ RARB P10826 1/20 0.40
▸ SLC18A2 Q05940 1/20 0.40

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
SCHEMBL14557743 0.86 HRH3 (0.46) HRH3MEN1NPC1RAB9AKMT2A
SCHEMBL14569599 0.79 EPHX2 (0.48) MEN1NPC1RAB9AKMT2ADPP4
SCHEMBL14569506 0.79 ALDH1A1 (0.50) NPC1RAB9AALDH1A1
SCHEMBL14610876 0.79 EPHX2 (0.48) MEN1NPC1RAB9AKMT2ADPP4
SCHEMBL14569706 0.79 EPHX2 (0.40) HRH3MEN1NPC1RAB9AKMT2A
SCHEMBL14569600 0.78 DPP4 (0.41) MEN1NPC1RAB9AKMT2ADPP4
SCHEMBL14569809 0.77 EPHX2 (0.39) HRH3MEN1NPC1RAB9AKMT2A
SCHEMBL14569542 0.76 RIPK1 (0.49) HRH3MEN1KMT2AEPHX2ALDH1A1
SCHEMBL23236376 0.74 SPHK1 (0.55) MEN1NPC1RAB9AKMT2ASPHK1
SCHEMBL23236372 0.74 SPHK1 (0.55) MEN1NPC1RAB9AKMT2ASPHK1

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-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 — — US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 — — 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 (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-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 HRH3 1894/4885MEN1 3283/4885NPC1 3300/4885

“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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