SCHEMBL12526749

SCHEMBL12526749

N=C(N)NC(=O)OCc1cccc(N2CCN(Cc3ccc(C(=O)O)cc3)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 7/20 0.60
▸ ITGA2B P08514 7/20 0.60
▸ DRD2 P14416 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ HSD17B10 Q99714 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ AOC3 Q16853 4/20 0.44
▸ KMT2A Q03164 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
SCHEMBL16785169 0.84 AOC3 (0.50) ITGB3ITGA2BDRD2DRD3AOC3
SCHEMBL16785186 0.80 AOC3 (0.68) ITGB3ITGA2BDRD2TP53LMNA
SCHEMBL12524392 0.78 AOC3 (0.69) ITGB3ITGA2BKDM4ETP53USP2
SCHEMBL17656753 0.78 ITGB3 (0.63) ITGB3ITGA2BDRD2DRD3HSD17B10
SCHEMBL16785024 0.77 AOC3 (0.48) ITGB3ITGA2BDRD2DRD3TSHR
SCHEMBL16785122 0.77 AOC3 (0.70) ITGB3DRD2DRD3HSD17B10MAPT
SCHEMBL12524423 0.75 AOC3 (0.71) ITGB3ITGA2BAOC3
SCHEMBL16785195 0.74 AOC3 (0.49) ITGB3ITGA2BMAPTKDM4EAOC3
SCHEMBL12526363 0.74 DRD2 (0.56) ITGB3ITGA2BDRD2DRD3HSD17B10
SCHEMBL16784952 0.74 AOC3 (0.54) AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3002278-B1 GUANIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-04-19 — — EP disclosed
US-9556160-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2017-01-31 — — US disclosed
US-20150203480-A1 GUANIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2015-07-23 — — US disclosed
US-9051283-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2015-06-09 — — US disclosed
WO-2012124696-A1 GUANIDINE COMPOUND アステラス製薬株式会社 (JP) 2012-09-20 — — 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-20150203480-A1 GUANIDINE COMPOUND GUCY1A1, VAPA, VAPB ITGB3 3336/4885ITGA2B 3594/4885DRD2 1156/4885

“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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