SCHEMBL14557871

SCHEMBL14557871

CCC(=O)N1CCC[C@H]1CN(C)c1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 12/20 0.55
▸ NPC1 O15118 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TSHR P16473 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ THRB P10828 1/20 0.39

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
SCHEMBL14569498 0.79 PLA2G4B (0.46) HCAR3LMNARAB9AKMT2AMEN1
SCHEMBL14569600 0.79 DPP4 (0.41) NPC1RAB9AKMT2AMEN1
SCHEMBL5155000 0.76 HPGD (0.44) HCAR3NPC1LMNAHTTRAB9A
SCHEMBL14558359 0.76 ITGA4 (0.50) RAB9AKMT2AMEN1ALDH1A1
SCHEMBL5152022 0.76 ITGA4 (0.50) RAB9AKMT2AMEN1ALDH1A1
SCHEMBL14557874 0.73 DPP4 (0.40) KDM4E
SCHEMBL14569715 0.71 DPP4 (0.44) NPC1RAB9AALDH1A1KDM4E
SCHEMBL2773641 0.69 LMNA (0.67) HCAR3NPC1LMNAHTTRAB9A
SCHEMBL14557797 0.69 DPP4 (0.43) HCAR3LMNARAB9AKMT2AMEN1
SCHEMBL2772069 0.69 HCAR3 (1.00) HCAR3NPC1LMNAHTTRAB9A

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 4 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-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
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 HCAR3 1328/4885NPC1 3300/4885LMNA 2312/4885

“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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