SCHEMBL3743376

SCHEMBL3743376

COC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CC2CCC(C1)N2C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
CYP2D6 P10635 1/20 0.38
AAK1 Q2M2I8 2/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
CA12 O43570 1/20 0.36
CA14 Q9ULX7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BTK Q06187 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
GAA P10253 1/20 0.35
CACNA1B Q00975 2/20 0.35
EPHX1 P07099 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33

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
SCHEMBL3743401 0.89 CTSS (0.40) KMT2AMEN1CYP2D6AAK1CTSS
SCHEMBL3806247 0.85 BTK (0.39) AAK1CTSSCTSKCA12CA14
SCHEMBL21904477 0.83 AAK1 (0.48) AAK1CTSSCTSKCA12CA14
SCHEMBL1372065 0.83 AAK1 (0.48) AAK1CTSSCTSKCA12CA14
SCHEMBL1372066 0.83 AAK1 (0.48) AAK1CTSSCTSKCA12CA14
SCHEMBL8079018 0.82 CHRM1 (0.54) AAK1CA12CA14BTKCHRM2
SCHEMBL24103813 0.81 AAK1 (0.49) AAK1CTSSCTSKCA12CA14
SCHEMBL30878159 0.81 AAK1 (0.49) AAK1CTSSCTSKCA12CA14
SCHEMBL29090746 0.81 AAK1 (0.49) AAK1CTSSCTSKCA12CA14
SCHEMBL3742020 0.81 AAK1 (0.34) KMT2AAAK1CA12CA14L3MBTL1

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-8338450-B2 Compounds as dipeptidyl peptidase IV (DPP IV) inhibitors LUPIN LIMITED (IN) 2012-12-25 US disclosed
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
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 KMT2A 3499/4885MEN1 4270/4885CYP2D6 460/4885

“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.