SCHEMBL5628309

SCHEMBL5628309

CN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(N(C[C@@H](N)CCCNC(=N)N)C(=O)C(F)(F)F)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC9A3 P48764 13/20 0.44

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
Trifluoroacetic Acid SCHEMBL5628303 0.80 SLC9A3 (0.46) SLC9A3
SCHEMBL5628277 0.80 SLC9A3 (0.41) SLC9A3
SCHEMBL5629525 0.79 SLC9A3 (0.50) SLC9A3
SCHEMBL5630367 0.79 SLC9A3 (0.50) SLC9A3
SCHEMBL5628473 0.74 SLC9A3 (0.62) SLC9A3
SCHEMBL5631755 0.74 SLC9A3 (0.62) SLC9A3
Hydrochloric Acid SCHEMBL5628894 0.73 SLC9A3 (0.61) SLC9A3
SCHEMBL5628513 0.72 SLC9A3 (0.46) SLC9A3
SCHEMBL14462745 0.71 SLC9A3 (0.55) SLC9A3
SCHEMBL4034728 0.71 SLC9A3 (0.50) SLC9A3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241775-B2 Composition, process of making, and medical use of substituted 4-phenyltetrahydroisoquinolines SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-07-10 US disclosed
US-20050009863-A1 Composition, process of making, and medical use of substituted 4-phenyltetrahydroisoquinolines AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-13 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-20050009863-A1 Composition, process of making, and medical use of substituted 4-phenyltetrahydroisoquinolines CYP27A1, CYP11B2, CYP7A1 SLC9A3 4035/4885

“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.