SCHEMBL2829492

SCHEMBL2829492

CC(C)(Oc1ccc(Cl)cc1)C(=N)N(C#N)C1CC2CCC1C2

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 19/20 0.39
HSD11B2 P80365 12/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL2829490 1.00 HSD11B1 (0.39) HSD11B1HSD11B2MEN1CYP1A2CYP3A4
SCHEMBL2823412 0.84 HSD11B1 (0.41) HSD11B1HSD11B2
SCHEMBL2826339 0.84 HSD11B1 (0.41) HSD11B1HSD11B2
SCHEMBL2823665 0.83 HSD11B1 (0.39) HSD11B1HSD11B2MEN1CYP1A2CYP3A4
SCHEMBL2831917 0.80 HSD11B1 (0.39) HSD11B1HSD11B2MEN1CYP1A2CYP3A4
SCHEMBL2824066 0.78 HSD11B1 (0.42) HSD11B1HSD11B2
SCHEMBL2831638 0.77 HSD11B1 (0.33) HSD11B1HSD11B2MEN1KMT2A
SCHEMBL2831637 0.77 HSD11B1 (0.33) HSD11B1HSD11B2MEN1KMT2A
SCHEMBL2822992 0.76 HSD11B1 (0.57) HSD11B1HSD11B2
SCHEMBL2829043 0.74 HSD11B1 (0.59) HSD11B1HSD11B2

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
US-8507493-B2 Amide and amidine derivatives and uses thereof ABBVIE INC. (US) 2013-08-13 US 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 2/4885HSD11B2 1/4885MEN1 1978/4885

“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.