SCHEMBL631389

SCHEMBL631389

CC(C)(C)c1cc(C#N)ccc1N1CCN(C(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 9/20 0.50
SLC6A9 P48067 5/20 0.41
SLC6A5 Q9Y345 1/20 0.41
LMNA P02545 2/20 0.40
GPR119 Q8TDV5 1/20 0.40
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PANK3 Q9H999 2/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL631353 0.86 GPR119 (0.54) RBP4LMNAGPR119MAPT
SCHEMBL532719 0.82 HTT (0.49) SLC6A9SLC6A5LMNAMAPTMAPK1
SCHEMBL18240930 0.82 CHRM4 (0.42) RBP4SMN1; SMN2
SCHEMBL709690 0.81 MAPT (0.49) SLC6A9SLC6A5LMNAMAPTMAPK1
SCHEMBL766289 0.80 RBP4 (0.74) RBP4LMNAMAPTMAPK1HTT
SCHEMBL20524591 0.80 KDM4E (0.44) SLC6A9SLC6A5LMNAMAPTMAPK1
SCHEMBL4147771 0.80 SLC6A9 (0.56) SLC6A9SLC6A5LMNAMAPTMAPK1
SCHEMBL631019 0.78 RBP4 (0.52) RBP4LMNAMAPK1HTTKMT2A
SCHEMBL248276 0.78 LMNA (0.52) SLC6A9SLC6A5LMNAKCNH2
SCHEMBL25369348 0.77 GPR119 (0.55) SLC6A9LMNAGPR119MAPTKCNH2

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-8853215-B2 Derivatives of N-acyl-N′-phenylpiperazine useful (inter alia) for the prophylaxis or treatment of diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-10-07 US disclosed
US-20120071489-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-22 US disclosed
EP-2419413-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES Takeda Pharmaceutical Company Limited (JP) 2012-02-22 EP disclosed
WO-2010119992-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-21 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-20120071489-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES RBP4, RBP1, FABP4 RBP4 1/4885SLC6A9 4689/4885SLC6A5 3546/4885

“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.