SCHEMBL1027107

SCHEMBL1027107

NCC(=O)N1CCC[C@@H]1CO

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
DPP4 P27487 6/20 0.56
DPP8 Q6V1X1 4/20 0.56
PREP P48147 1/20 0.56
FAP Q12884 1/20 0.56
DPP9 Q86TI2 1/20 0.56
CHRM2 P08172 3/20 0.44
CHRM4 P08173 3/20 0.44
CHRM1 P11229 3/20 0.44
CHRM3 P20309 3/20 0.44
DPP7 Q9UHL4 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PDK2 Q15119 2/20 0.36

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
SCHEMBL15808498 1.00 POLB (0.66) POLBL3MBTL1DPP4DPP8PREP
SCHEMBL19423712 1.00 POLB (0.66) POLBL3MBTL1DPP4DPP8PREP
Hydrochloric Acid SCHEMBL19410021 0.98 POLB (0.63) POLBL3MBTL1DPP4DPP8PREP
Hydrochloric Acid SCHEMBL19410019 0.98 POLB (0.63) POLBL3MBTL1DPP4DPP8PREP
Hydrochloric Acid SCHEMBL19410049 0.98 POLB (0.63) POLBL3MBTL1DPP4DPP8PREP
SCHEMBL15808670 0.94 POLB (0.58) POLBL3MBTL1DPP4DPP8PREP
SCHEMBL6293568 0.85 POLB (0.61) POLBL3MBTL1DPP4DPP8PREP
SCHEMBL5046483 0.84 POLB (0.70) POLBL3MBTL1DPP4DPP8PREP
SCHEMBL1712666 0.84 POLB (0.70) POLBL3MBTL1DPP4DPP8PREP
SCHEMBL3431498 0.84 POLB (0.70) POLBL3MBTL1DPP4DPP8PREP

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170283425-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILINS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-10-05 US disclosed
WO-2017173048-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILINS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-10-05 WO disclosed
US-20170283425-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILINS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-10-05 US disclosed
US-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 US disclosed
EP-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 EP disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 US disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 EP 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 (3 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-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION FABP7, TIMP3, MMP11 POLB 4635/4885L3MBTL1 4196/4885DPP4 1673/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 POLB 1266/4885L3MBTL1 1505/4885DPP4 3209/4885
US-20170283425-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILINS AND USES THEREOF PPIG, PPIH, FKBP2 POLB 4119/4885L3MBTL1 2665/4885DPP4 1397/4885

“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.