SCHEMBL1763606

SCHEMBL1763606

N=C(N)NC(=O)c1ccc(C2CCN(C(=O)c3ccncc3)CC2)c(C(F)(F)F)c1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 20/20 0.69
CYP2C9 P11712 8/20 0.69
CYP2C19 P33261 6/20 0.69
CYP2D6 P10635 3/20 0.69
CYP3A4 P08684 5/20 0.58
KCNH2 Q12809 1/20 0.54

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
SCHEMBL1763519 0.93 SLC9A1 (0.69) SLC9A1CYP2C9CYP2C19CYP2D6CYP3A4
SCHEMBL1763892 0.92 SLC9A1 (0.68) SLC9A1CYP2C9CYP2C19CYP2D6CYP3A4
SCHEMBL1763080 0.92 SLC9A1 (0.68) SLC9A1CYP2C9CYP2C19CYP2D6CYP3A4
SCHEMBL1763620 0.91 SLC9A1 (0.62) SLC9A1CYP2C9CYP2C19CYP2D6CYP3A4
SCHEMBL1763920 0.91 SLC9A1 (0.69) SLC9A1CYP2C9CYP2C19CYP2D6CYP3A4
SCHEMBL7994756 0.91 SLC9A1 (0.62) SLC9A1CYP2C9CYP2C19CYP2D6CYP3A4
SCHEMBL1763943 0.91 SLC9A1 (0.69) SLC9A1CYP2C9CYP2C19CYP2D6CYP3A4
SCHEMBL1763899 0.90 SLC9A1 (0.69) SLC9A1CYP2C9CYP2C19CYP2D6CYP3A4
SCHEMBL1763600 0.90 SLC9A1 (0.75) SLC9A1CYP2C9CYP2C19CYP2D6CYP3A4
SCHEMBL1763931 0.90 SLC9A1 (0.72) SLC9A1CYP2C9CYP2C19CYP2D6CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118262-A1 Pyrrolidinyl and Piperidinyl Compounds Useful as NHE-1 Inhibitiors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US disclosed
US-20110118262-A1 Pyrrolidinyl and Piperidinyl Compounds Useful as NHE-1 Inhibitiors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US disclosed
US-20110118262-A1 Pyrrolidinyl and Piperidinyl Compounds Useful as NHE-1 Inhibitiors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US disclosed
WO-2010005783-A1 PYRROLIDINYL AND PIPERIDINYL COMPOUNDS USEFUL AS NHE-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 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-20110118262-A1 Pyrrolidinyl and Piperidinyl Compounds Useful as NHE-1 Inhibitiors NHERF1, SLC9A1, SLC9A5 SLC9A1 2/4885CYP2C9 1660/4885CYP2C19 917/4885

“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.