SCHEMBL3743401

SCHEMBL3743401

CC(C)(C)OC(=O)N[C@H](C(=O)O)C1CC2CCC(C1)N2C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40
KMT2A Q03164 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BTK Q06187 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MEN1 O00255 1/20 0.36
CYP2D6 P10635 1/20 0.36
AAK1 Q2M2I8 2/20 0.36
GAA P10253 1/20 0.36
EPHX1 P07099 1/20 0.35
OPRM1 P35372 3/20 0.34
OPRK1 P41145 3/20 0.34
OGFRL1 Q5TC84 3/20 0.34
OPRD1 P41143 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL3743376 0.89 KMT2A (0.38) CTSSCTSKKMT2AL3MBTL1BTK
SCHEMBL3751248 0.84 BTK (0.40) CTSSCTSKKMT2ABTKHDAC4
SCHEMBL3745527 0.83 CTSS (0.44) CTSSCTSKKMT2AL3MBTL1BTK
SCHEMBL22285128 0.82 CTSS (0.47) CTSSCTSKKMT2ABTKHDAC4
SCHEMBL22125910 0.82 CTSS (0.47) CTSSCTSKKMT2ABTKHDAC4
SCHEMBL23005710 0.82 CTSS (0.47) CTSSCTSKKMT2ABTKHDAC4
SCHEMBL22285129 0.82 CTSS (0.47) CTSSCTSKKMT2ABTKHDAC4
SCHEMBL844822 0.82 CTSS (0.47) CTSSCTSKKMT2ABTKHDAC4
SCHEMBL844823 0.82 CTSS (0.47) CTSSCTSKKMT2ABTKHDAC4
SCHEMBL127389 0.82 CTSS (0.47) CTSSCTSKKMT2ABTKHDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338450-B2 Compounds as dipeptidyl peptidase IV (DPP IV) inhibitors LUPIN LIMITED (IN) 2012-12-25 US claimed
US-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2010-11-18 US claimed
WO-2009037719-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2009-03-26 WO claimed
EP-1300396-B1 1,2-DIHYDROPYRIDINE COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF EISAI R&D MAN CO LTD (JP) 2009-01-14 EP claimed
US-8338450-B2 Compounds as dipeptidyl peptidase IV (DPP IV) inhibitors LUPIN LIMITED (IN) 2012-12-25 US disclosed
US-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2010-11-18 US 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-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS DPP4, DPP7, DPP3 CTSS 957/4885CTSK 878/4885KMT2A 3499/4885

“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.