SCHEMBL5545337

SCHEMBL5545337

N[C@@H]1CC[C@H](CSc2ncccn2)C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.41
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 3/20 0.34
CTSK P43235 1/20 0.34
KDM1A O60341 1/20 0.33
MAPK1 P28482 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CPB1 P15086 1/20 0.31
CPB2 Q96IY4 1/20 0.31

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
SCHEMBL5545416 0.81 CRBN (0.46) CRBNHSD17B10KMT2ANPC1RAB9A
SCHEMBL5548257 0.74 AGTR2 (0.41) CRBNKMT2ACTSKKDM1AMAPK1
SCHEMBL5543174 0.74 AGTR2 (0.41) CRBNKMT2ACTSKKDM1AMAPK1
SCHEMBL5548726 0.74 AGTR2 (0.41) CRBNKMT2ACTSKKDM1AMAPK1
SCHEMBL20064079 0.70 CPB1 (0.32) CPB1CPB2
SCHEMBL5543254 0.69 GRIN2B (0.42)
SCHEMBL5549154 0.69 GRIN2B (0.42)
SCHEMBL5543259 0.69 GRIN2B (0.42)
SCHEMBL5549157 0.69 GRIN2B (0.42)
SCHEMBL5549969 0.68 CRBN (0.43) CRBNKMT2ACTSKKDM1ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050192324-A1 Novel dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof GLENMARK PHARMACEUTICALS LTD. (IN) 2005-09-01 US claimed
US-7230002-B2 Dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof GLENMARK PHARMACEUTICALS LTD. (IN) 2007-06-12 US disclosed
US-20050192324-A1 Novel dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof GLENMARK PHARMACEUTICALS LTD. (IN) 2005-09-01 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-20050192324-A1 Novel dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof DPP4, DPP3, DPP7 CRBN 3066/4885HSD17B10 962/4885KMT2A 3556/4885

“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.