SCHEMBL1764149

SCHEMBL1764149

CCC(=O)N1CCC(c2ccc(C(=O)NC(=N)N)cc2S(C)(=O)=O)CC1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 10/20 0.69
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
THRA P10827 3/20 0.42
VDR P11473 1/20 0.42
THRB P10828 1/20 0.41
BTK Q06187 2/20 0.38
RORC P51449 1/20 0.37

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
SCHEMBL1763532 0.89 SLC9A1 (0.55) SLC9A1CYP3A4CYP2C9CYP2C19THRA
SCHEMBL1763470 0.89 SLC9A1 (0.67) SLC9A1CYP3A4THRAVDR
SCHEMBL1763716 0.85 SLC9A1 (0.69) SLC9A1CYP3A4CYP2C9CYP2C19THRA
Hydrochloric Acid SCHEMBL8896835 0.85 SLC9A1 (0.49) SLC9A1
SCHEMBL1763603 0.84 SLC9A1 (0.52) SLC9A1CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL8896320 0.83 SLC9A1 (0.47) SLC9A1
SCHEMBL7993152 0.83 SLC9A1 (0.50) SLC9A1CYP3A4CYP2C9CYP2C19
SCHEMBL1763890 0.82 SLC9A1 (0.69) SLC9A1CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL8899656 0.82 SLC9A1 (0.47) SLC9A1
SCHEMBL1763189 0.80 SLC9A1 (0.51) SLC9A1CYP3A4CYP2C9CYP2C19RORC

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 2/4885CYP3A4 3075/4885CYP2C9 1660/4885

“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.