SCHEMBL3491571

SCHEMBL3491571

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.39
CNR1 P21554 5/20 0.39
NOTUM Q6P988 3/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 5/20 0.36
MAPT P10636 4/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
LMNA P02545 3/20 0.34
TP53 P04637 2/20 0.34
AGTR2 P50052 2/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 2/20 0.33
MAPK1 P28482 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 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
SCHEMBL3491575 1.00 CNR2 (0.39) CNR2CNR1NOTUMALDH1A1SMN1; SMN2
SCHEMBL3496494 1.00 CNR2 (0.39) CNR2CNR1NOTUMALDH1A1SMN1; SMN2
SCHEMBL8240185 0.89 GPR119 (0.38) CNR2CNR1MAPTTP53
SCHEMBL8237796 0.89 GPR119 (0.38) CNR2CNR1MAPTTP53
SCHEMBL3493406 0.88 ALDH1A1 (0.38) CNR2CNR1NOTUMALDH1A1SMN1; SMN2
SCHEMBL3493965 0.88 ALDH1A1 (0.38) CNR2CNR1NOTUMALDH1A1SMN1; SMN2
SCHEMBL3493410 0.88 ALDH1A1 (0.38) CNR2CNR1NOTUMALDH1A1SMN1; SMN2
SCHEMBL3492878 0.86 ALDH1A1 (0.37) CNR2CNR1NOTUMALDH1A1SMN1; SMN2
SCHEMBL3493445 0.85 SMN1; SMN2 (0.39) CNR2CNR1NOTUMALDH1A1SMN1; SMN2
SCHEMBL3492458 0.83 LMNA (0.36) CNR2CNR1NOTUMALDH1A1SMN1; 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 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 CNR2 375/4885CNR1 388/4885NOTUM 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.