SCHEMBL2826084

SCHEMBL2826084

N#CN(C(=N)C1(c2ccccc2)CC1)C1C2CC3CC(C2)CC1C3

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.36
AKR1C1 Q04828 1/20 0.30

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
SCHEMBL2830144 0.87 HSD11B1 (0.33) HSD11B1
SCHEMBL2822532 0.82 HSD11B1 (0.36) HSD11B1
SCHEMBL2828162 0.71 HSD11B1 (0.32) HSD11B1
SCHEMBL2828163 0.71 HSD11B1 (0.32) HSD11B1
SCHEMBL25422729 0.67 CYP2C9 (0.30)
SCHEMBL2827381 0.66 HSD11B1 (0.48) HSD11B1
SCHEMBL2022323 0.62 HSD11B1 (0.60) HSD11B1
SCHEMBL1622891 0.59 AKR1C1 (0.47) HSD11B1AKR1C1
SCHEMBL2027589 0.58 HSD11B1 (0.57) HSD11B1AKR1C1
Hydrochloric Acid SCHEMBL28933139 0.57 AKR1C1 (0.45) HSD11B1AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2243479-A2 Novel amide and amidine derivates and uses thereof Abbott Laboratories (US) 2010-10-27 EP claimed
US-20100267738-A1 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-21 US claimed

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-20100267738-A1 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF HSD11B2, HSD11B1, HSD17B2 HSD11B1 2/4885AKR1C1 221/4885

“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.