SCHEMBL3751248

SCHEMBL3751248

CC(C)(C)OC(=O)N[C@H](C(=O)O)C1CC2CCC(C1)N2C(=O)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.40
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
AAK1 Q2M2I8 2/20 0.36
PREP P48147 1/20 0.36
ITGB3 P05106 6/20 0.35
ITGA2B P08514 6/20 0.35
RECQL P46063 1/20 0.35
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CTSL P07711 1/20 0.34
GAA P10253 1/20 0.34
ELANE P08246 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
SCHEMBL3806247 0.90 BTK (0.39) BTKCTSSCTSKCHRM2CHRM1
SCHEMBL3743843 0.87 TSHR (0.38) CHRM2CHRM1CHRM3AAK1PREP
SCHEMBL3743401 0.84 CTSS (0.40) BTKCTSSCTSKCHRM2CHRM1
SCHEMBL3744310 0.84 CHRM2 (0.55) BTKCTSSCTSKCHRM2CHRM1
SCHEMBL23005710 0.82 CTSS (0.47) BTKCTSSCTSKAAK1KMT2A
SCHEMBL22285128 0.82 CTSS (0.47) BTKCTSSCTSKAAK1KMT2A
SCHEMBL22125910 0.82 CTSS (0.47) BTKCTSSCTSKAAK1KMT2A
SCHEMBL22285129 0.82 CTSS (0.47) BTKCTSSCTSKAAK1KMT2A
SCHEMBL844822 0.82 CTSS (0.47) BTKCTSSCTSKAAK1KMT2A
SCHEMBL844823 0.82 CTSS (0.47) BTKCTSSCTSKAAK1KMT2A

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 5 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
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
WO-2009037719-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2009-03-26 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-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS DPP4, DPP7, DPP3 BTK 4424/4885CTSS 957/4885CTSK 878/4885

“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.