SCHEMBL3493594

SCHEMBL3493594

COC(=O)CCc1ccc(OCC2C(C(C)(C)C)N(C(=O)O)CCN2C(=O)c2cc(C)n(-c3ccccc3)c2-c2ccccc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.34
CNR1 P21554 2/20 0.34
VDR P11473 1/20 0.33
PPARD Q03181 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
TP53 P04637 2/20 0.32
FFAR1 O14842 2/20 0.32
LMNA P02545 2/20 0.32
GRIN2C Q14957 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
YAP1 P46937 1/20 0.31
PPARG P37231 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL3493364 0.93 KDM1A (0.35) CNR2CNR1VDRPPARDTP53
SCHEMBL3494786 0.88 TP53 (0.43) TP53LMNAALDH1A1
SCHEMBL4985477 0.84 CNR1 (0.35) CNR2CNR1VDRPPARDTP53
SCHEMBL3493775 0.84 CPT2 (0.38) TP53LMNAALDH1A1
SCHEMBL3493902 0.76 DHODH (0.36) TP53LMNAALDH1A1
SCHEMBL13340161 0.75 KAT7 (0.38) YAP1
SCHEMBL3496195 0.74 CNR2 (0.35) CNR2CNR1TP53LMNAGAA
SCHEMBL3494290 0.74 NOTUM (0.34) CNR2CNR1LMNAKMT2AMEN1
SCHEMBL3494703 0.74 NR1H2 (0.34) CNR2CNR1KMT2AMEN1ALDH1A1
SCHEMBL4986734 0.73 CHRNA7 (0.39)

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 CNR2 375/4885CNR1 388/4885VDR 281/4885

“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.