SCHEMBL1763883

SCHEMBL1763883

COc1cc(C2CCN(C(C)=O)CC2)c(C(F)(F)F)cc1C(=O)NC(=N)N

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 9/20 0.69
KCNH2 Q12809 2/20 0.54
ADRA1D P25100 2/20 0.48
SLC6A3 Q01959 2/20 0.48
HTR2A P28223 1/20 0.48
SLC9A2 Q9UBY0 1/20 0.48
SOS1 Q07889 4/20 0.43
RBP4 P02753 4/20 0.41
QDPR P09417 1/20 0.40
CYP2C9 P11712 4/20 0.40
CYP2C19 P33261 3/20 0.40
CYP3A4 P08684 3/20 0.38
IDO1 P14902 1/20 0.38

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
SCHEMBL1763461 0.89 SLC9A1 (0.55) SLC9A1KCNH2ADRA1DSLC6A3HTR2A
SCHEMBL1763399 0.87 SLC9A1 (0.54) SLC9A1RBP4CYP2C9CYP2C19CYP3A4
SCHEMBL1763300 0.87 SLC9A1 (0.68) SLC9A1KCNH2ADRA1DSLC6A3HTR2A
SCHEMBL12593554 0.86 SLC9A1 (0.50) SLC9A1KCNH2ADRA1DSLC6A3HTR2A
SCHEMBL1764112 0.85 SLC9A1 (0.51) SLC9A1KCNH2RBP4CYP2C9CYP2C19
SCHEMBL1763588 0.85 SLC9A1 (0.51) SLC9A1KCNH2RBP4CYP2C9CYP2C19
SCHEMBL1763591 0.85 SLC9A1 (0.51) SLC9A1KCNH2RBP4CYP2C9CYP2C19
SCHEMBL1763498 0.84 SLC9A1 (0.51) SLC9A1KCNH2RBP4CYP2C9CYP2C19
SCHEMBL7994436 0.84 SLC9A1 (0.51) SLC9A1RBP4CYP2C9CYP2C19CYP3A4
SCHEMBL1763494 0.84 SLC9A1 (0.51) SLC9A1KCNH2RBP4CYP2C9CYP2C19

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 2/4885KCNH2 242/4885ADRA1D 1467/4885

“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.