SCHEMBL13368237

SCHEMBL13368237

Cc1cc(C(=O)N2CCNC[C@H]2CC(C)C)c(-c2ccccc2)n1C1=CC=CCC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
CYP3A4 P08684 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA4 P22748 2/20 0.33
CA9 Q16790 2/20 0.33
REN P00797 2/20 0.32
NPC1 O15118 2/20 0.30
ALDH1A1 P00352 2/20 0.30
RAB9A P51151 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL13368327 0.89 CA1 (0.44) HCRTR1HCRTR2CYP3A4CA1CA2
SCHEMBL13341395 0.85 HCRTR1 (0.42) HCRTR1HCRTR2CYP3A4CA1CA2
SCHEMBL13368235 0.84 HCRTR1 (0.35) HCRTR1HCRTR2CYP3A4CA1CA2
Hydrochloric Acid SCHEMBL3493030 0.84 HCRTR1 (0.42) HCRTR1HCRTR2CYP3A4CA1CA2
SCHEMBL13368246 0.80 REN (0.40) HCRTR1HCRTR2CYP3A4CA1CA2
SCHEMBL3492134 0.77 HCRTR1 (0.38) HCRTR1HCRTR2CYP3A4RENALDH1A1
SCHEMBL3494532 0.75 HCRTR1 (0.44) HCRTR1HCRTR2CYP3A4CA1CA2
SCHEMBL8236184 0.73 HCRTR1 (0.53) HCRTR1HCRTR2CYP3A4CA1CA2
Hydrochloric Acid SCHEMBL3494081 0.73 HCRTR1 (0.52) HCRTR1HCRTR2CYP3A4CA1CA2
SCHEMBL13341376 0.72 HCRTR1 (0.45) HCRTR1HCRTR2CYP3A4CA1CA2

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 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.