SCHEMBL3493364

SCHEMBL3493364

COC(=O)Cc1ccc(OCC2C(C(C)(C)C)N(C(=O)O)CCN2C(=O)c2cc(C)n(-c3ccccc3)c2-c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.35
LMNA P02545 3/20 0.33
TP53 P04637 2/20 0.33
GRIN2C Q14957 1/20 0.33
CNR2 P34972 3/20 0.32
CNR1 P21554 2/20 0.32
ESR1 P03372 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
VDR P11473 1/20 0.32
RXRA P19793 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
ESR2 Q92731 1/20 0.32
FAAH O00519 1/20 0.32
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 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
SCHEMBL3493594 0.93 CNR2 (0.34) LMNATP53GRIN2CCNR2CNR1
SCHEMBL3494786 0.89 TP53 (0.43) LMNATP53MAPTHPGDTSHR
SCHEMBL3493775 0.85 CPT2 (0.38) LMNATP53MAPTHPGDTSHR
SCHEMBL13340161 0.82 KAT7 (0.38) KDM1A
SCHEMBL4986734 0.80 CHRNA7 (0.39)
SCHEMBL3493902 0.77 DHODH (0.36) LMNATP53MAPTTSHRHTT
SCHEMBL4985477 0.76 CNR1 (0.35) LMNATP53GRIN2CCNR2CNR1
SCHEMBL3493592 0.75 KAT7 (0.37) LMNATP53PPARG
SCHEMBL3494290 0.75 NOTUM (0.34) LMNACNR2CNR1MAPTHPGD
SCHEMBL3496195 0.75 CNR2 (0.35) LMNATP53CNR2CNR1MAPT

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 KDM1A 629/4885LMNA 201/4885TP53 4747/4885

“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.