SCHEMBL3493739

SCHEMBL3493739

N#Cc1ccc(C[C@@H]2CN(C(=O)O)CCN2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA4 P22748 2/20 0.48
CA9 Q16790 2/20 0.48
DPP4 P27487 4/20 0.40
DPP8 Q6V1X1 2/20 0.40
MLNR O43193 4/20 0.39
PARP1 P09874 1/20 0.39
FAAH O00519 1/20 0.39
RORC P51449 2/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
DPP9 Q86TI2 1/20 0.38
CYP2D6 P10635 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 1/20 0.37
KCNJ1 P48048 1/20 0.37

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
SCHEMBL4973057 1.00 CA1 (0.48) CA1CA2CA4CA9DPP4
SCHEMBL3492392 0.85 CA1 (0.51) CA1CA2CA4CA9PARP1
SCHEMBL3495230 0.85 CA1 (0.62) CA1CA2CA4CA9PARP1
SCHEMBL5719329 0.85 CA1 (0.62) CA1CA2CA4CA9PARP1
SCHEMBL4749948 0.85 CA1 (0.62) CA1CA2CA4CA9PARP1
SCHEMBL3491740 0.83 LTA4H (0.46) DPP4MLNRMEN1KMT2A
SCHEMBL8112498 0.82 GPR119 (0.52) CA1CA2CA4CA9MLNR
SCHEMBL3494434 0.80 CA1 (0.73) CA1CA2CA4CA9ALDH1A1
Hydrochloric Acid SCHEMBL4285402 0.79 MMP2 (0.46) DPP4MLNRALDH1A1
SCHEMBL3493250 0.77 FAAH (0.43) CA1CA2CA4CA9DPP4

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 6 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
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO 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 (3 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 CA1 2606/4885CA2 1023/4885CA4 1470/4885
US-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CA1 2275/4885CA2 218/4885CA4 296/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CA1 2275/4885CA2 218/4885CA4 296/4885

“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.