SCHEMBL2831637

SCHEMBL2831637

CC(C)(Oc1ccc(F)cc1F)C(=N)N(C#N)[C@H]1C[C@@H]2CC[C@H]1C2

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HSD11B2 P80365 4/20 0.32
GPR6 P46095 1/20 0.31
BRD4 O60885 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
SLC6A4 P31645 1/20 0.30
SCN9A Q15858 1/20 0.30
GCK P35557 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
SCHEMBL2831638 1.00 HSD11B1 (0.33) HSD11B1MEN1KMT2ASLC6A3HSD11B2
SCHEMBL2823412 0.90 HSD11B1 (0.41) HSD11B1HSD11B2GPR6HTR2AHTR2C
SCHEMBL2826339 0.90 HSD11B1 (0.41) HSD11B1HSD11B2GPR6HTR2AHTR2C
SCHEMBL2829492 0.77 HSD11B1 (0.39) HSD11B1MEN1KMT2AHSD11B2
SCHEMBL2829490 0.77 HSD11B1 (0.39) HSD11B1MEN1KMT2AHSD11B2
SCHEMBL2830115 0.76 HSD11B1 (0.52) HSD11B1HSD11B2
SCHEMBL2830619 0.75 HSD11B1 (0.43) HSD11B1HSD11B2GPR6
SCHEMBL2830616 0.74 HSD11B1 (0.36) HSD11B1HSD11B2GCK
SCHEMBL2823394 0.72 SIGMAR1 (0.38) HSD11B1MEN1KMT2ASLC6A3HSD11B2
SCHEMBL2831639 0.72 HSD11B1 (0.35) HSD11B1HSD11B2GCK

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 4 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
US-8507493-B2 Amide and amidine derivatives and uses thereof ABBVIE INC. (US) 2013-08-13 US disclosed
US-20100267738-A1 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-21 US 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-20100267738-A1 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF HSD11B2, HSD11B1, HSD17B2 HSD11B1 2/4885MEN1 1978/4885KMT2A 2829/4885

“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.