SCHEMBL3314567

SCHEMBL3314567

CCOC(=O)c1nc(CO)sc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.53
CDC7 O00311 2/20 0.53
DBF4 Q9UBU7 2/20 0.53
ALDH1A1 P00352 9/20 0.52
HSD17B10 Q99714 4/20 0.52
HPGD P15428 6/20 0.50
MAPT P10636 5/20 0.50
GRM6 O15303 3/20 0.50
GAA P10253 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
TARBP2 Q15633 1/20 0.49
KDM4E B2RXH2 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
DHODH Q02127 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 3/20 0.48

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
SCHEMBL3317487 0.88 TRPM8 (0.49) TRPM8CDC7DBF4ALDH1A1HSD17B10
SCHEMBL3317854 0.88 ALDH1A1 (0.49) TRPM8CDC7DBF4ALDH1A1HSD17B10
SCHEMBL3316068 0.86 CYP1A2 (0.50) TRPM8CDC7DBF4ALDH1A1HSD17B10
SCHEMBL27789563 0.86 ALDH1A1 (0.47) TRPM8CDC7DBF4ALDH1A1HSD17B10
SCHEMBL3317668 0.85 ALDH1A1 (0.53) TRPM8CDC7DBF4ALDH1A1HSD17B10
SCHEMBL13398515 0.83 ALDH1A1 (0.52) TRPM8CDC7DBF4ALDH1A1HSD17B10
SCHEMBL20785682 0.83 TRPM8 (0.63) TRPM8CDC7DBF4ALDH1A1HSD17B10
SCHEMBL3321548 0.82 GRM6 (0.58) TRPM8CDC7DBF4ALDH1A1HSD17B10
SCHEMBL3317624 0.82 ALDH1A1 (0.72) TRPM8CDC7DBF4ALDH1A1HSD17B10
SCHEMBL27789562 0.81 KDM4E (0.47) ALDH1A1HSD17B10HPGDMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367696-B2 Aza-bridged-ring compound ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-8367696-B2 Aza-bridged-ring compound ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-8367696-B2 Aza-bridged-ring compound ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-20100105658-A1 AZA-BRIDGED-RING COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 US disclosed
US-20100105658-A1 AZA-BRIDGED-RING COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 US disclosed
US-20100105658-A1 AZA-BRIDGED-RING COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 US disclosed
EP-2119716-A1 AZA-BRIDGED-RING COMPOUND Astellas Pharma Inc. (JP) 2009-11-18 EP 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-20100105658-A1 AZA-BRIDGED-RING COMPOUND CHRM3, CHRM1, CHRM2 TRPM8 99/4885CDC7 1384/4885DBF4 1437/4885

“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.