SCHEMBL5548788

SCHEMBL5548788

CC(C)(C)OC(=O)N[C@@H]1CC[C@H](COc2ccc(C#N)c(F)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.47
KDM4D Q6B0I6 1/20 0.45
TRPV4 Q9HBA0 2/20 0.44
TRPA1 O75762 1/20 0.44
ACACB O00763 3/20 0.44
AAK1 Q2M2I8 2/20 0.41
EGLN2 Q96KS0 1/20 0.40
CACNA1H O95180 1/20 0.40
SCN9A Q15858 1/20 0.39
RET P07949 1/20 0.39

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
SCHEMBL5548799 0.84 DRD2 (0.55) DRD2KDM4DACACBAAK1
SCHEMBL5543293 0.84 DRD2 (0.55) DRD2KDM4DACACBAAK1
SCHEMBL6154916 0.82 KDM4D (0.47) DRD2KDM4DTRPV4TRPA1AAK1
SCHEMBL6153458 0.77 KDM4D (0.49) DRD2KDM4DTRPA1AAK1EGLN2
SCHEMBL6153457 0.77 KDM4D (0.49) DRD2KDM4DTRPA1AAK1EGLN2
SCHEMBL6155283 0.77 KDM4D (0.49) DRD2KDM4DTRPA1AAK1EGLN2
SCHEMBL31752283 0.77 GPR119 (0.58) TRPV4
SCHEMBL5543202 0.76 DRD2 (0.54) DRD2ACACB
SCHEMBL5548352 0.76 DRD2 (0.54) DRD2ACACB
SCHEMBL5549964 0.76 DRD2 (0.54) DRD2ACACB

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 DRD2 3398/4885KDM4D 635/4885TRPV4 2648/4885

“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.