SCHEMBL3494818

SCHEMBL3494818

Cc1cc(C(=O)N2CCN(C(=O)O)C[C@H]2CN2CCC(C(=O)NCCCCO)CC2)c(-c2ccccc2)n1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
CHRM4 P08173 4/20 0.35
MAPT P10636 3/20 0.34
CD274 Q9NZQ7 2/20 0.34
POLB P06746 2/20 0.34
TP53 P04637 2/20 0.34
CNR2 P34972 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
EPHX2 P34913 1/20 0.33
CHRM2 P08172 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 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
SCHEMBL8229930 0.92 MAPK8 (0.38) LMNACHRM4MAPTTP53
SCHEMBL3492416 0.90 AKT1 (0.39) LMNACHRM4MAPTPOLBCNR2
SCHEMBL3495754 0.85 POLB (0.38) MAPTPOLBCNR2ALDH1A1CYP2C19
SCHEMBL3495007 0.83 USP2 (0.42) POLBALDH1A1KDM4E
SCHEMBL8230232 0.82 MAPK8 (0.38) LMNACHRM4MAPTTP53KDM4E
SCHEMBL3492063 0.80 ALDH1A1 (0.41) LMNAMAPTTP53CNR2ALDH1A1
SCHEMBL3493192 0.79 CNR2 (0.38) LMNAMAPTTP53CNR2ALDH1A1
SCHEMBL3493419 0.79 CCR3 (0.38) TP53
SCHEMBL3491572 0.78 CHRM4 (0.44) CHRM4MAPTPOLBTP53CHRM2
SCHEMBL13341216 0.78 CCR3 (0.38) POLB

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 3 patents. 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
EP-1984355-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION Takeda Pharmaceutical Company Limited (JP) 2008-10-29 EP disclosed
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 WO 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 LMNA 201/4885CHRM4 533/4885MAPT 4821/4885

“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.