SCHEMBL2987136

SCHEMBL2987136

Cn1c(-c2ccc(O)cc2)nnc1C(C)(C)Nc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.43
HSD11B1 P28845 5/20 0.40
TP53 P04637 2/20 0.38
MDM2 Q00987 1/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.35

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
SCHEMBL2986182 0.86 TP53 (0.41) SMN1; SMN2ALDH1A1HPGDHSD11B1TP53
SCHEMBL2981625 0.84 HSD11B1 (0.40) HSD11B1TP53MAPT
SCHEMBL2982974 0.83 SMN1; SMN2 (0.50) MEN1NPC1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL2997693 0.82 GAA (0.46) MEN1KMT2AALDH1A1TP53MAPT
SCHEMBL2987116 0.80 HSD11B1 (0.44) HSD11B1
SCHEMBL2991428 0.78 HSD11B1 (0.39) NPC1KMT2AALDH1A1HSD11B1TP53
SCHEMBL2984482 0.78 KMT2A (0.43) NPC1KMT2ASMN1; SMN2TP53MAPT
SCHEMBL2990968 0.76 HSD11B1 (0.58) NPC1SMN1; SMN2ALDH1A1HPGDHSD11B1
SCHEMBL2983984 0.74 RHEB (0.39) NPC1SMN1; SMN2HSD11B1
SCHEMBL10914460 0.73 ALDH1A1 (0.54) MEN1NPC1KMT2ASMN1; SMN2ALDH1A1

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 MEN1 1768/4885NPC1 566/4885KMT2A 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.