SCHEMBL3494703

SCHEMBL3494703

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.34
NR1H3 Q13133 2/20 0.34
NOTUM Q6P988 8/20 0.34
HCRTR1 O43613 5/20 0.33
HCRTR2 O43614 5/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
CYP3A4 P08684 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
KMT2A Q03164 1/20 0.32
KLKB1 P03952 1/20 0.31
KLK1 P06870 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 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
SCHEMBL3494290 0.91 NOTUM (0.34) NR1H2NR1H3NOTUMHCRTR1HCRTR2
SCHEMBL3494807 0.90 NOTUM (0.34) NR1H2NR1H3NOTUMHCRTR1HCRTR2
SCHEMBL3496195 0.87 CNR2 (0.35) NR1H2NR1H3NOTUMHCRTR1HCRTR2
SCHEMBL3495949 0.85 NOTUM (0.35) NR1H2NR1H3NOTUM
SCHEMBL3493902 0.84 DHODH (0.36) NOTUMALDH1A1MAPTSMN1; SMN2
SCHEMBL5141229 0.81 CA1 (0.42) NR1H2NR1H3
SCHEMBL3493038 0.79 TUBB4A (0.34) NOTUMALDH1A1MAPTKDM4EMEN1
SCHEMBL3494701 0.79 NR1H2 (0.47) NR1H2NR1H3
SCHEMBL3493364 0.75 KDM1A (0.35) CNR1CNR2MAPTSMN1; SMN2
SCHEMBL3493775 0.75 CPT2 (0.38) NOTUMALDH1A1MAPTKDM4ESMN1; 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 NR1H2 339/4885NR1H3 293/4885NOTUM 1289/4885

“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.