SCHEMBL12769043

SCHEMBL12769043

OCCOc1ncc2c(n1)CNC2

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 2/20 0.34
▸ SLC29A1 Q99808 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
SCHEMBL12769050 0.80 HSP90AA1 (0.36) HTR2C
SCHEMBL1528411 0.76 KDM4E (0.37) HTR2C
SCHEMBL12769046 0.76 DRD3 (0.32) HTR2C
SCHEMBL30118145 0.76 CYP1A2 (0.36) HTR2C
SCHEMBL12769048 0.76 CYP1A2 (0.36) HTR2C
SCHEMBL12840807 0.73 HSP90AA1 (0.36) SLC29A1
SCHEMBL18818491 0.70 CCNA2 (0.39) SLC29A1
SCHEMBL31598280 0.70 HTR2C (0.46) HTR2C
SCHEMBL19304369 0.69 HTR2C (0.41) HTR2C
SCHEMBL12838407 0.69 HTR2C (0.41) HTR2C

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-7910596-B2 Aminotetrahydropyrans as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2011-03-22 — — US disclosed
US-7910596-B2 Aminotetrahydropyrans as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2011-03-22 — — US disclosed
US-20100234403-A1 Aminotetrahydropyrans as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK & CO., INC. 2010-09-16 — — US disclosed
US-20100234403-A1 Aminotetrahydropyrans as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK & CO., INC. 2010-09-16 — — 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-20100234403-A1 Aminotetrahydropyrans as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 HTR2C 2223/4885SLC29A1 610/4885

“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.

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