SCHEMBL10112648

SCHEMBL10112648

[C-]#[N+]c1ccnc(N2CCC3(CC2)CCN([C@H]2CC[C@@H](O)CC2)C3=O)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.35
TYK2 P29597 1/20 0.35
HCRTR2 O43614 6/20 0.34
HCRTR1 O43613 4/20 0.34
FFAR4 Q5NUL3 1/20 0.33
OPRD1 P41143 3/20 0.33
KCNH2 Q12809 1/20 0.33
HTR7 P34969 2/20 0.32
LCAT P04180 2/20 0.32

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
SCHEMBL10112533 1.00 HSD11B1 (0.35) HSD11B1TYK2HCRTR2HCRTR1FFAR4
SCHEMBL4570188 0.91 HSD11B1 (0.35) HSD11B1TYK2HCRTR2HCRTR1HTR7
SCHEMBL5630252 0.80 HSD11B1 (0.47) HSD11B1HCRTR2HCRTR1HTR7LCAT
SCHEMBL4719611 0.80 FFAR4 (0.53) HCRTR2HCRTR1FFAR4KCNH2LCAT
SCHEMBL4721294 0.80 FFAR4 (0.53) HCRTR2HCRTR1FFAR4KCNH2LCAT
SCHEMBL5630431 0.80 FFAR4 (0.53) HCRTR2HCRTR1FFAR4KCNH2LCAT
SCHEMBL4723036 0.80 HSD11B1 (0.47) HSD11B1HCRTR2HCRTR1HTR7LCAT
SCHEMBL4790365 0.80 HSD11B1 (0.47) HSD11B1HCRTR2HCRTR1HTR7LCAT
SCHEMBL10112730 0.78 HSD11B1 (0.38) HSD11B1FFAR4
SCHEMBL4722855 0.77 HCRTR2 (0.47) HCRTR2

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-8193207-B2 Lactam compounds and methods of using the same INCYTE CORPORATION (US) 2012-06-05 US disclosed
US-20070129345-A1 Lactam compounds and methods of using the same INCYTE CORPORATION 2007-06-07 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-20070129345-A1 Lactam compounds and methods of using the same HSD11B1, HSD17B11, HSD17B1 HSD11B1 1/4885TYK2 4860/4885HCRTR2 4496/4885

“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.