SCHEMBL5408210

SCHEMBL5408210

c1ccc(C[C@@H]2COCCN2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
PLG P00747 2/20 0.42
GBA1 P04062 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC22A1 O15245 1/20 0.39
PRCP P42785 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
OGFRL1 Q5TC84 1/20 0.38

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
SCHEMBL2333756 1.00 POLB (0.54) POLBPLGGBA1MEN1KMT2A
SCHEMBL1176855 1.00 POLB (0.54) POLBPLGGBA1MEN1KMT2A
Hydrochloric Acid SCHEMBL17700584 0.98 POLB (0.53) POLBPLGGBA1MEN1KMT2A
SCHEMBL23459229 0.90 POLB (0.60) POLBPLGGBA1
SCHEMBL23459230 0.90 POLB (0.60) POLBPLGGBA1
SCHEMBL28161970 0.84 POLB (0.40) POLBPLGGBA1MEN1KMT2A
SCHEMBL18577123 0.83 MALT1 (0.41) POLB
SCHEMBL29197761 0.83 KDM1A (0.39) POLB
SCHEMBL1177083 0.83 MALT1 (0.41) POLB
SCHEMBL31302116 0.83 CYP19A1 (0.38) POLBOPRM1OPRD1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020158762-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 2020-08-06 WO disclosed
WO-2013007371-A2 KINETIC RESOLUTION OF CHIRAL AMINES ETH ZURICH (CH) 2013-01-17 WO disclosed
US-7253172-B2 Dipeptidyl peptidase inhibitors for the treatment of diabetes MERCK & CO., INC. (US) 2007-08-07 US disclosed
EP-1406622-B1 DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK & CO INC (US) 2006-02-22 EP disclosed
EP-1406622-A4 DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK & CO INC (US) 2005-01-19 EP disclosed
US-20040236102-A1 Dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. 2004-11-25 US disclosed
EP-1406622-A2 DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OF DIABETES Merck & Co., Inc. (US) 2004-04-14 EP disclosed
WO-2003000181-A2 DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK & CO., INC. (US) 2003-01-03 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-20040236102-A1 Dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 POLB 3148/4885PLG 301/4885GBA1 760/4885

“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.