SCHEMBL3495945

SCHEMBL3495945

Cc1cc(C(=O)N2CCN(C(=O)O)C[C@H]2C(c2ccccc2)C(C)(C)C)c(-c2ccccc2)n1-c1cccc(OCCCS(C)(=O)=O)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.34
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FFAR1 O14842 15/20 0.32
GNA15 P30679 1/20 0.32
SLC10A1 Q14973 1/20 0.32
ABCC2 Q92887 1/20 0.32
SLCO1B3 Q9NPD5 1/20 0.32
SLCO1B1 Q9Y6L6 1/20 0.32
FAAH O00519 1/20 0.31
SLC5A1 P13866 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
SCHEMBL3493899 0.84 DHODH (0.36) NOTUMKDM4EALDH1A1LMNAFFAR1
SCHEMBL3494287 0.84 NOTUM (0.35) NOTUMKDM4EALDH1A1LMNATP53
SCHEMBL3494598 0.84 CA1 (0.39) NOTUMFFAR1
SCHEMBL3494806 0.83 NOTUM (0.35) NOTUMALDH1A1LMNASMN1; SMN2
SCHEMBL3496193 0.81 CNR2 (0.34) NOTUMALDH1A1LMNATP53SMN1; SMN2
SCHEMBL3495943 0.79 NR1H2 (0.46) SLC5A1
SCHEMBL3495949 0.78 NOTUM (0.35) NOTUMFFAR1GNA15SLC10A1ABCC2
SCHEMBL3496494 0.75 CNR2 (0.39) NOTUMALDH1A1LMNATP53SMN1; SMN2
SCHEMBL3491571 0.75 CNR2 (0.39) NOTUMALDH1A1LMNATP53SMN1; SMN2
SCHEMBL3491575 0.75 CNR2 (0.39) NOTUMALDH1A1LMNATP53SMN1; SMN2

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 NOTUM 1289/4885KDM4E 780/4885USP2 3772/4885

“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.