SCHEMBL2987228

SCHEMBL2987228

COC(=O)C1(c2cccs2)CCC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.54
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 4/20 0.43
TP53 P04637 3/20 0.43
HTT P42858 1/20 0.43
GAA P10253 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
KCNA3 P22001 1/20 0.41

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
SCHEMBL1038462 0.95 CHRM3 (0.60) CHRM3MAPTALDH1A1LMNATP53
SCHEMBL15897807 0.93 CHRM3 (0.50) CHRM3MAPTALDH1A1LMNATP53
SCHEMBL30999194 0.81 CHRM3 (0.46) CHRM3MAPTALDH1A1LMNATP53
SCHEMBL7415776 0.80 CHRM3 (0.51) CHRM3LMNATP53GAATSHR
SCHEMBL2987151 0.80 ALDH1A1 (0.49) CHRM3MAPTALDH1A1LMNATP53
SCHEMBL1428246 0.79 CHRM3 (0.53) CHRM3LMNATP53GAATSHR
SCHEMBL7414392 0.79 CHRM3 (0.53) CHRM3LMNATP53GAATSHR
SCHEMBL2978592 0.76 AKR1C1 (0.53) CHRM3ALDH1A1LMNATP53HTT
SCHEMBL14209999 0.76 CHRM3 (0.68) CHRM3LMNA
Hydrochloric Acid SCHEMBL8097333 0.76 CHRM3 (0.58) CHRM3MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776897-B2 such as 3-[1-(5-chloro-2-thienyl)cyclopenty]-5,6,7,8,9,10-hexahydro [1,2,4]triazolo[4,3-a]azocine, having a strong 11 beta -hydroxysteroid dehydrogenase type 1inhibitory activity and exhibiting an excellent blood-glucose level-lowering action, used for the therapy of diabetes and insulin resistance ASTELLAS PHARMA INC. (JP) 2010-08-17 US disclosed
US-20070259854-A1 Triazole Derivative or Salt Thereof ASTELLAS PHARMA INC. (JP) 2007-11-08 US disclosed
EP-1790641-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2007-05-30 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-20070259854-A1 Triazole Derivative or Salt Thereof HSD11B1, HSD11B2, HSD3B1 CHRM3 4756/4885MAPT 3403/4885ALDH1A1 288/4885

“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.