SCHEMBL3491489

SCHEMBL3491489

Cc1cc(C(=O)N2CCN(C(=O)O)C[C@H]2[C@@H](O)CC(=O)OC(C)(C)C)c(-c2ccccc2)n1-c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 2/20 0.33
NOTUM Q6P988 1/20 0.33
CNR2 P34972 3/20 0.33
CNR1 P21554 2/20 0.33
P2RY12 Q9H244 1/20 0.32
LMNA P02545 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
TP53 P04637 1/20 0.32
GPR119 Q8TDV5 1/20 0.31
NR1H3 Q13133 5/20 0.31
NR1H2 P55055 4/20 0.31
USP19 O94966 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL3493147 1.00 SMN1; SMN2 (0.34) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL13341040 0.94 GPR119 (0.36) MAPTTP53GPR119
SCHEMBL13341044 0.94 GPR119 (0.36) MAPTTP53GPR119
SCHEMBL3492458 0.90 LMNA (0.36) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL13341038 0.89 LMNA (0.36) MAPTNPC1LMNATP53GPR119
SCHEMBL3494977 0.89 GPR119 (0.37) MAPTTP53GPR119USP19
SCHEMBL3493445 0.87 SMN1; SMN2 (0.39) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL13341048 0.87 SMN1; SMN2 (0.37) SMN1; SMN2MAPTTP53GPR119NR1H3
SCHEMBL3492878 0.85 ALDH1A1 (0.37) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL13341063 0.85 CTSS (0.37) MAPTGPR119NR1H3NR1H2

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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension REN, AGTR1, AGTR2 SMN1; SMN2 4730/4885MAPT 4821/4885NPC1 3189/4885

“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.