SCHEMBL1764247

SCHEMBL1764247

Cc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)c(C(F)(F)F)cc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.54
KCNH2 Q12809 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 3/20 0.46
MAPT P10636 2/20 0.46
THRB P10828 1/20 0.46
KMT2A Q03164 7/20 0.45
MEN1 O00255 6/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 3/20 0.45
USP2 O75604 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
CRHBP P24387 1/20 0.44
HTT P42858 1/20 0.44
CRHR2 Q13324 1/20 0.44
EPHX2 P34913 1/20 0.43
P2RY14 Q15391 1/20 0.43
STS P08842 1/20 0.43

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
SCHEMBL1763264 0.89 SLC9A1 (0.53) SLC9A1KCNH2SMN1; SMN2KDM4EMAPT
SCHEMBL24717446 0.86 SMN1; SMN2 (0.52) SMN1; SMN2KDM4EMAPTTHRBKMT2A
SCHEMBL1763737 0.83 SLC9A1 (0.54) SLC9A1KCNH2P2RY14CYP3A4CYP2C9
SCHEMBL1763553 0.82 SLC9A1 (0.54) SLC9A1SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL17229874 0.81 SMN1; SMN2 (0.51) SMN1; SMN2KDM4EMAPTTHRBKMT2A
SCHEMBL17223034 0.79 SMN1; SMN2 (0.52) SLC9A1KCNH2SMN1; SMN2KDM4EMAPT
SCHEMBL17304115 0.79 KDM4E (0.47) SLC9A1KCNH2KDM4EMAPTTHRB
SCHEMBL4455329 0.77 KMT2A (0.52) SMN1; SMN2KDM4EMAPTTHRBKMT2A
SCHEMBL15553805 0.77 SLC9A1 (0.50) SLC9A1KCNH2KDM4EMAPTTHRB
SCHEMBL17222860 0.77 RBP4 (0.51) SMN1; SMN2KDM4EMAPTTHRBKMT2A

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 3 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
EP-2321274-A1 PYRROLIDINYL AND PIPERIDINYL COMPOUNDS USEFUL AS NHE-1 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2011-05-18 EP 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 2/4885KCNH2 242/4885SMN1; SMN2 4454/4885

“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.