SCHEMBL1763396

SCHEMBL1763396

CS(=O)(=O)c1cc(C(=O)NC(=N)N)ccc1C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 2/20 0.54
SLC9A1 P19634 7/20 0.52
CYP3A4 P08684 2/20 0.48
HSD11B1 P28845 1/20 0.47
MGLL Q99685 1/20 0.46
CACNA1B Q00975 6/20 0.46
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
NR1I2 O75469 2/20 0.45

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
SCHEMBL1763268 0.90 RBP4 (0.51) RBP4SLC9A1CYP3A4HSD11B1MGLL
SCHEMBL7993152 0.88 SLC9A1 (0.50) RBP4SLC9A1CYP3A4MGLL
SCHEMBL1763735 0.87 RBP4 (0.67) RBP4SLC9A1CYP3A4HSD11B1
SCHEMBL1763603 0.86 SLC9A1 (0.52) SLC9A1CYP3A4HSD11B1
SCHEMBL1763189 0.84 SLC9A1 (0.51) SLC9A1CYP3A4
SCHEMBL1763622 0.84 SLC9A1 (0.73) RBP4SLC9A1CYP3A4
SCHEMBL1763470 0.82 SLC9A1 (0.67) SLC9A1CYP3A4
SCHEMBL1764203 0.81 SLC9A1 (0.71) SLC9A1CYP3A4
SCHEMBL1763656 0.80 SLC9A1 (0.73) SLC9A1CYP3A4CACNA1B
SCHEMBL1764149 0.80 SLC9A1 (0.69) SLC9A1CYP3A4

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 RBP4 4521/4885SLC9A1 2/4885CYP3A4 3075/4885

“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.