SCHEMBL1763264

SCHEMBL1763264

COC(=O)c1cc(C(F)(F)F)c(C2CCN(C(=O)OC(C)(C)C)CC2)cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.53
KCNH2 Q12809 2/20 0.53
RBP4 P02753 2/20 0.47
EED O75530 1/20 0.47
RBBP4 Q09028 1/20 0.47
SUZ12 Q15022 1/20 0.47
EZH2 Q15910 1/20 0.47
AEBP2 Q6ZN18 1/20 0.47
EPHX2 P34913 1/20 0.46
MAPT P10636 2/20 0.45
THRB P10828 2/20 0.45
KDM4E B2RXH2 1/20 0.45
STS P08842 1/20 0.44
CFTR P13569 1/20 0.43
GPR119 Q8TDV5 3/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
SCN9A Q15858 1/20 0.41

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
SCHEMBL1764247 0.89 SLC9A1 (0.54) SLC9A1KCNH2EPHX2MAPTTHRB
SCHEMBL24717826 0.87 EED (0.48) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL30798387 0.87 EED (0.48) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL1763753 0.84 RBP4 (0.61) SLC9A1KCNH2RBP4EPHX2GPR119
SCHEMBL1763058 0.83 SLC9A1 (0.53) SLC9A1EEDRBBP4SUZ12EZH2
SCHEMBL30736670 0.80 EPHX2 (0.49) RBP4EEDRBBP4SUZ12EZH2
SCHEMBL30736663 0.80 EPHX2 (0.49) RBP4EEDRBBP4SUZ12EZH2
SCHEMBL12965677 0.79 SMN1; SMN2 (0.52) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL17229874 0.79 SMN1; SMN2 (0.51) RBP4EPHX2MAPTTHRBKDM4E
SCHEMBL19097504 0.78 NAMPT (0.52) EEDRBBP4SUZ12EZH2AEBP2

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 242/4885RBP4 4521/4885

“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.