SCHEMBL5548726

SCHEMBL5548726

NC1CCC(CSc2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 1/20 0.41
CRBN Q96SW2 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 1/20 0.39
GRIN2B Q13224 2/20 0.39
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
GRIN2A Q12879 1/20 0.34
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
FFAR1 O14842 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSK P43235 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
KDM1A O60341 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
SCHEMBL5543174 1.00 AGTR2 (0.41) AGTR2CRBNALDH1A1MAPK1GRIN2B
SCHEMBL5548257 1.00 AGTR2 (0.41) AGTR2CRBNALDH1A1MAPK1GRIN2B
SCHEMBL6640484 0.90 AGTR2 (0.39) AGTR2CRBNALDH1A1MAPK1GRIN2B
SCHEMBL5549969 0.83 CRBN (0.43) CRBNALDH1A1MAOAMAOBRAB9A
SCHEMBL2665515 0.82 ALDH1A1 (0.50) AGTR2CRBNALDH1A1MAPK1GRIN2B
SCHEMBL15605677 0.79 AGTR2 (0.41) AGTR2CRBNALDH1A1MAPK1GRIN2B
SCHEMBL5545416 0.76 CRBN (0.46) CRBNALDH1A1RAB9ANPC1KMT2A
SCHEMBL17037249 0.75 AGTR2 (0.41) AGTR2CRBNALDH1A1MAPK1GRIN2B
SCHEMBL17040211 0.74 NPC1 (0.43) AGTR2CRBNALDH1A1MAPK1GRIN2B
SCHEMBL5545337 0.74 CRBN (0.41) CRBNMAPK1RAB9ANPC1KMT2A

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-20050192324-A1 Novel dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof GLENMARK PHARMACEUTICALS LTD. (IN) 2005-09-01 US claimed
WO-2005075426-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS; PROCESSES FOR THEIR PREPARATION AND COMPOSITIONS THEREOF GLENMARK PHARMACEUTICALS LTD. (US) 2005-08-18 WO 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 AGTR2 242/4885CRBN 3066/4885ALDH1A1 1221/4885

“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.