SCHEMBL5548352

SCHEMBL5548352

CC(C)(C)OC(=O)N[C@@H]1CC[C@H](COc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.54
SIGMAR1 Q99720 2/20 0.48
ACACB O00763 2/20 0.46
PKM P14618 1/20 0.43
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL5543202 1.00 DRD2 (0.54) DRD2SIGMAR1ACACBPKMALDH1A1
SCHEMBL5549964 1.00 DRD2 (0.54) DRD2SIGMAR1ACACBPKMALDH1A1
SCHEMBL5543293 0.84 DRD2 (0.55) DRD2SIGMAR1ACACBKDM1AMAOB
SCHEMBL5548799 0.84 DRD2 (0.55) DRD2SIGMAR1ACACBKDM1AMAOB
SCHEMBL26185843 0.83 SIGMAR1 (0.53) DRD2SIGMAR1ACACB
SCHEMBL29157993 0.81 DRD2 (0.52) DRD2ALDH1A1KDM1AMAOB
SCHEMBL31114636 0.79 EPHX2 (0.57) DRD2PKMALDH1A1MAPTKDM1A
SCHEMBL8066651 0.79 DRD2 (0.54) DRD2ACACBKDM1AMAOB
SCHEMBL2649560 0.77 KDM1A (0.55) DRD2ACACBALDH1A1KDM1AMAOB
SCHEMBL2649557 0.77 KDM1A (0.55) DRD2ACACBALDH1A1KDM1AMAOB

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 3398/4885SIGMAR1 4155/4885ACACB 1421/4885

“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.