SCHEMBL12840807

SCHEMBL12840807

CN1Cc2cnc(OCCO)nc2C1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 12/20 0.36
▸ HSP90B1 P14625 7/20 0.36
▸ SLC29A1 Q99808 1/20 0.35
▸ CHRM1 P11229 1/20 0.34
▸ CYP2C19 P33261 1/20 0.33
▸ TIPARP Q7Z3E1 1/20 0.32

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
SCHEMBL17623871 0.84 HSP90AA1 (0.45) HSP90AA1HSP90B1TIPARP
SCHEMBL12769069 0.82 HSP90AA1 (0.39) HSP90AA1HSP90B1SLC29A1
SCHEMBL17623869 0.82 HSP90AA1 (0.43) HSP90AA1HSP90B1
SCHEMBL12840038 0.78 HSP90AA1 (0.40) HSP90AA1HSP90B1CYP2C19
SCHEMBL12840947 0.77 HSP90AA1 (0.39) HSP90AA1HSP90B1
SCHEMBL17623867 0.74 HSP90AA1 (0.45) HSP90AA1HSP90B1
SCHEMBL12769043 0.73 HTR2C (0.34) SLC29A1
SCHEMBL12840031 0.71 CHRM2 (0.37) CHRM1CYP2C19
SCHEMBL8222559 0.71 HSP90AA1 (0.50) HSP90AA1HSP90B1CYP2C19
SCHEMBL19504483 0.71 CCNA2 (0.46) HSP90AA1

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 2 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-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 HSP90AA1 3908/4885HSP90B1 3188/4885SLC29A1 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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