SCHEMBL3317854

SCHEMBL3317854

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
HPGD P15428 5/20 0.49
GRM6 O15303 3/20 0.49
MAPT P10636 3/20 0.49
GAA P10253 3/20 0.49
NPSR1 Q6W5P4 3/20 0.49
TRPM8 Q7Z2W7 2/20 0.49
CDC7 O00311 1/20 0.49
DBF4 Q9UBU7 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
HSD17B10 Q99714 3/20 0.48
TARBP2 Q15633 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 3/20 0.48
LMNA P02545 2/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL27789563 0.90 ALDH1A1 (0.47) ALDH1A1HPGDGRM6MAPTGAA
SCHEMBL3314567 0.88 TRPM8 (0.53) ALDH1A1HPGDGRM6MAPTGAA
SCHEMBL3317487 0.87 TRPM8 (0.49) ALDH1A1HPGDGRM6MAPTGAA
SCHEMBL13398515 0.85 ALDH1A1 (0.52) ALDH1A1HPGDGRM6MAPTGAA
SCHEMBL3316068 0.85 CYP1A2 (0.50) ALDH1A1HPGDGRM6MAPTGAA
SCHEMBL3317668 0.83 ALDH1A1 (0.53) ALDH1A1HPGDGRM6MAPTGAA
SCHEMBL20785682 0.82 TRPM8 (0.63) ALDH1A1HPGDGRM6MAPTGAA
SCHEMBL3320308 0.82 ALDH1A1 (0.49) ALDH1A1HPGDGRM6MAPTGAA
SCHEMBL3321548 0.81 GRM6 (0.58) ALDH1A1HPGDGRM6MAPTGAA
SCHEMBL3317624 0.81 ALDH1A1 (0.72) ALDH1A1HPGDGRM6MAPTGAA

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 ALDH1A1 2006/4885HPGD 886/4885GRM6 421/4885

“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.