SCHEMBL14569600

SCHEMBL14569600

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.41
▸ UTS2R Q9UKP6 3/20 0.40
▸ OPRK1 P41145 2/20 0.40
▸ STAT6 P42226 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ RXRG P48443 1/20 0.39
▸ LTA4H P09960 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ HCRTR1 O43613 1/20 0.37
▸ HCRTR2 O43614 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ DPP8 Q6V1X1 1/20 0.37
▸ DPP9 Q86TI2 1/20 0.37
▸ DPP7 Q9UHL4 1/20 0.37
▸ HPGD P15428 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
SCHEMBL14557864 0.87 STAT6 (0.41) DPP4UTS2ROPRK1STAT6RXRA
SCHEMBL14557871 0.79 HCAR3 (0.55) MEN1KMT2ANPC1RAB9A
SCHEMBL14569546 0.78 HRH3 (0.48) DPP4EPHX2MEN1KMT2ANPC1
SCHEMBL14569599 0.77 EPHX2 (0.48) DPP4EPHX2LTA4HMEN1KMT2A
SCHEMBL14610876 0.77 EPHX2 (0.48) DPP4EPHX2LTA4HMEN1KMT2A
SCHEMBL14569506 0.77 ALDH1A1 (0.50) LTA4HNPC1RAB9AHPGD
SCHEMBL14569706 0.77 EPHX2 (0.40) DPP4EPHX2MEN1KMT2ANPC1
SCHEMBL19632124 0.75 OPRK1 (0.50) DPP4OPRK1EPHX2MEN1KMT2A
SCHEMBL14569809 0.75 EPHX2 (0.39) DPP4EPHX2LTA4HMEN1KMT2A
SCHEMBL14569542 0.74 RIPK1 (0.49) EPHX2MEN1KMT2A

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 1 patent. 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

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 DPP4 288/4885UTS2R 3623/4885OPRK1 1428/4885

“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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