SCHEMBL2992855

SCHEMBL2992855

Cn1c(-c2ccccc2N2CCCC2)nnc1C(C)(C)c1ccccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.37
KMO O15229 3/20 0.36
PTGS2 P35354 1/20 0.36
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
CASP1 P29466 1/20 0.34
HTT P42858 1/20 0.34
HBB P68871 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CHRM2 P08172 2/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33

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
SCHEMBL2991823 0.79 HSD11B1 (0.49) ALDH1A1KDM4EMAPTSMN1; SMN2CHRM2
SCHEMBL2990029 0.79 HSD11B1 (0.56) ALDH1A1KDM4ESMN1; SMN2LMNAHSD11B1
SCHEMBL13902318 0.69 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2CHRM3
SCHEMBL13902316 0.69 ALDH1A1 (0.36) ALDH1A1KDM4EMAPTSMN1; SMN2CHRM3
SCHEMBL27552785 0.65 HTR7 (0.71) HTR7KMOPTGS2ALDH1A1TSHR
SCHEMBL2995306 0.64 HSD11B1 (0.55) ALDH1A1TSHRKDM4ESMN1; SMN2LMNA
SCHEMBL10356935 0.63 SMN1; SMN2 (0.58) ALDH1A1KDM4EMEN1HTTKMT2A
SCHEMBL2983603 0.62 HSD11B1 (0.52) TSHRKDM4EMAPTHSD11B1
SCHEMBL13902655 0.61 L3MBTL1 (0.42) ALDH1A1TSHRMEN1MAPTHTT
SCHEMBL22792062 0.60 HSD11B1 (0.46) ALDH1A1SMN1; SMN2HSD11B1

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 HTR7 2247/4885KMO 1223/4885PTGS2 1897/4885

“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.