SCHEMBL3495949

SCHEMBL3495949

Cc1cc(C(=O)N2CCN(C(=O)O)C(C(C)(C)C)[C@H]2Cc2ccccc2)c(-c2ccccc2)n1-c1cccc(OCCCS(C)(=O)=O)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.35
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
FFAR1 O14842 16/20 0.35
GNA15 P30679 1/20 0.34
SLC10A1 Q14973 1/20 0.34
ABCC2 Q92887 1/20 0.34
SLCO1B3 Q9NPD5 1/20 0.34
SLCO1B1 Q9Y6L6 1/20 0.34
SLC5A1 P13866 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL3493902 0.85 DHODH (0.36) NOTUM
SCHEMBL3494703 0.85 NR1H2 (0.34) NOTUMNR1H2NR1H3
SCHEMBL3494598 0.84 CA1 (0.39) NOTUMNR1H2NR1H3FFAR1
SCHEMBL3494290 0.84 NOTUM (0.34) NOTUMNR1H2NR1H3
SCHEMBL3494807 0.83 NOTUM (0.34) NOTUMNR1H2NR1H3
SCHEMBL3495943 0.82 NR1H2 (0.46) NR1H2NR1H3SLC5A1
SCHEMBL3492462 0.81 REN (0.45) NOTUMFFAR1GNA15SLC10A1ABCC2
SCHEMBL3496195 0.81 CNR2 (0.35) NOTUMNR1H2NR1H3
SCHEMBL3495945 0.78 NOTUM (0.34) NOTUMFFAR1GNA15SLC10A1ABCC2
SCHEMBL3493775 0.77 CPT2 (0.38) NOTUM

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 1289/4885NR1H2 339/4885NR1H3 293/4885

“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.