SCHEMBL2987797

SCHEMBL2987797

N#CC1(c2cccs2)CC=CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PRCP P42785 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
SLC6A3 Q01959 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC6A4 P31645 1/20 0.33
CCR1 P32246 1/20 0.32
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL4441268 0.83 SLC6A2 (0.43) SLC6A2MEN1KMT2APRCPSIGMAR1
SCHEMBL8112308 0.80 SLC6A2 (0.44) SLC6A2MEN1KMT2APRCPSIGMAR1
SCHEMBL3518650 0.78 SLC6A2 (0.51) SLC6A2MEN1KMT2APRCPSIGMAR1
SCHEMBL24525763 0.77 MEN1 (0.42) SLC6A2MEN1KMT2APRCPSIGMAR1
SCHEMBL24525794 0.77 SLC6A3 (0.37) SLC6A2MEN1KMT2APRCPSIGMAR1
SCHEMBL3786109 0.76 SLC6A2 (0.38) SLC6A2MEN1KMT2APRCPSIGMAR1
SCHEMBL3934675 0.75 CYP2C9 (0.36) SLC6A2MEN1KMT2APRCPSIGMAR1
Hydrochloric Acid SCHEMBL8351844 0.74 SLC6A2 (0.37) SLC6A2MEN1KMT2APRCPSIGMAR1
SCHEMBL3933873 0.74 LMNA (0.40) SLC6A2MEN1KMT2APRCPSIGMAR1
SCHEMBL13229259 0.73 OPRM1 (0.51) MEN1KMT2APRCPSIGMAR1OPRM1

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 SLC6A2 861/4885MEN1 1768/4885KMT2A 1495/4885

“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.