SCHEMBL8229929

SCHEMBL8229929

COc1cccc(-n2c(C)cc(C(=O)N3CCNC[C@H]3Cc3ccccc3)c2-c2ccc(OCC(N)=O)cc2)c1OC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.42
HCRTR2 O43614 5/20 0.42
CYP3A4 P08684 1/20 0.42
REN P00797 2/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
CA9 Q16790 2/20 0.39
DPP4 P27487 3/20 0.37
DPP7 Q9UHL4 2/20 0.37
ACACA Q13085 1/20 0.36
CBX7 O95931 4/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
Hydrochloric Acid SCHEMBL4984048 0.94 HCRTR1 (0.42) HCRTR1HCRTR2CYP3A4RENCA1
SCHEMBL13341236 0.92 HCRTR1 (0.41) HCRTR1HCRTR2CYP3A4RENCA1
SCHEMBL3492269 0.91 HCRTR1 (0.47) HCRTR1HCRTR2CYP3A4RENCA1
SCHEMBL3493040 0.87 CA1 (0.40) HCRTR1HCRTR2CYP3A4CA1CA2
SCHEMBL8235999 0.84 HCRTR1 (0.46) HCRTR1HCRTR2CYP3A4RENCA1
Hydrochloric Acid SCHEMBL3495368 0.84 HCRTR1 (0.46) HCRTR1HCRTR2CYP3A4RENCA1
SCHEMBL3493478 0.81 CA1 (0.39) HCRTR1HCRTR2CYP3A4CA1CA2
SCHEMBL3492134 0.81 HCRTR1 (0.38) HCRTR1HCRTR2CYP3A4RENMEN1
SCHEMBL8235968 0.80 CA1 (0.41) HCRTR1HCRTR2CYP3A4CA1CA2
SCHEMBL3495062 0.79 REN (0.47) HCRTR1HCRTR2CYP3A4RENCA1

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
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
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 HCRTR1 323/4885HCRTR2 255/4885CYP3A4 1555/4885

“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.