SCHEMBL3494807

SCHEMBL3494807

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

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 8/20 0.34
POLB P06746 1/20 0.34
HCRTR1 O43613 5/20 0.33
HCRTR2 O43614 5/20 0.33
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
DCTPP1 Q9H773 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP3A4 P08684 2/20 0.32

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
SCHEMBL3494290 0.91 NOTUM (0.34) NOTUMHCRTR1HCRTR2NR1H2NR1H3
SCHEMBL3494703 0.90 NR1H2 (0.34) NOTUMHCRTR1HCRTR2NR1H2NR1H3
SCHEMBL3493038 0.88 TUBB4A (0.34) NOTUMPOLBALDH1A1LMNAMAPT
SCHEMBL3496195 0.87 CNR2 (0.35) NOTUMHCRTR1HCRTR2NR1H2NR1H3
SCHEMBL3493902 0.84 DHODH (0.36) NOTUMALDH1A1LMNAMAPT
SCHEMBL3495949 0.83 NOTUM (0.35) NOTUMNR1H2NR1H3
SCHEMBL3492546 0.81 CA1 (0.40) HCRTR1HCRTR2NR1H2NR1H3CYP3A4
SCHEMBL3491810 0.79 CA1 (0.46) POLB
SCHEMBL3494929 0.79 CA1 (0.46) POLB
SCHEMBL3494805 0.79 NR1H2 (0.46) NR1H2NR1H3MAPT

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 1289/4885POLB 1984/4885HCRTR1 323/4885

“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.