SCHEMBL1764048

SCHEMBL1764048

CC(C)(C)OC(=O)N1CCC(c2ccc(C(=O)N(C(=N)N)C(=O)OCc3ccccc3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.46
NAMPT P43490 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
CYP2C19 P33261 1/20 0.44
USP30 Q70CQ3 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
STS P08842 1/20 0.42
PRMT5 O14744 1/20 0.42

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
SCHEMBL1763781 0.85 SLC9A1 (0.45) GPR119CYP2C19MEN1KMT2A
SCHEMBL17366247 0.82 GPR119 (0.61) GPR119NAMPTSMN1; SMN2GAATHRB
SCHEMBL1763951 0.81 SLC9A1 (0.43) GPR119SMN1; SMN2GAATHRBCYP2C19
SCHEMBL1763967 0.81 SLC9A1 (0.43) GPR119SMN1; SMN2GAATHRBCYP2C19
SCHEMBL31701852 0.81 NAMPT (0.51) GPR119NAMPTSMN1; SMN2GAATHRB
SCHEMBL22193619 0.76 PRMT5 (0.61) GPR119NAMPTSMN1; SMN2GAATHRB
SCHEMBL14824682 0.76 NAMPT (0.65) GPR119NAMPTSMN1; SMN2GAATHRB
SCHEMBL31198857 0.76 GPR119 (0.57) GPR119NAMPTSMN1; SMN2CYP2C19NPC1
SCHEMBL23777377 0.75 KMT2A (0.50) SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL15530920 0.75 NAMPT (0.45) GPR119NAMPTSMN1; SMN2GAATHRB

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 GPR119 703/4885NAMPT 577/4885SMN1; 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.