SCHEMBL2302731

SCHEMBL2302731

O=C1N(C2CCCCC2)CCC12CCCN2Cc1c[nH]c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 13/20 0.62
ALDH1A1 P00352 1/20 0.53
TP53 P04637 1/20 0.53
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
MAPK1 P28482 1/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
JAK2 O60674 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45

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
SCHEMBL2298112 0.78 HSD11B1 (0.69) HSD11B1
SCHEMBL2300180 0.75 HSD11B1 (0.77) HSD11B1
SCHEMBL2302019 0.74 HSD11B1 (0.72) HSD11B1
SCHEMBL2301829 0.74 HSD11B1 (1.00) HSD11B1
SCHEMBL2297838 0.73 HSD11B1 (0.62) HSD11B1KDM4E
SCHEMBL2299299 0.73 HSD11B1 (1.00) HSD11B1
SCHEMBL2300237 0.73 HSD11B1 (1.00) HSD11B1
SCHEMBL2298882 0.72 HSD11B1 (0.76) HSD11B1
SCHEMBL2302676 0.72 HSD11B1 (0.80) HSD11B1
SCHEMBL2300676 0.72 HSD11B1 (0.65) HSD11B1

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-7998959-B2 Modulators of 11-β hydroxyl steroid dehydrogenase type 1, pharmaceutical compositions thereof, and methods of using the same INCYTE CORPORATION (US) 2011-08-16 US claimed
US-20070197506-A1 Modulators of 11-beta hydroxyl steroid dehydrogenase type 1, pharmaceutical compositions thereof, and methods of using the same INCYTE CORPORATION 2007-08-23 US claimed
US-7998959-B2 Modulators of 11-β hydroxyl steroid dehydrogenase type 1, pharmaceutical compositions thereof, and methods of using the same INCYTE CORPORATION (US) 2011-08-16 US disclosed
US-20070197506-A1 Modulators of 11-beta hydroxyl steroid dehydrogenase type 1, pharmaceutical compositions thereof, and methods of using the same INCYTE CORPORATION 2007-08-23 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-20070197506-A1 Modulators of 11-beta hydroxyl steroid dehydrogenase type 1, pharmaceutical compositions thereof, and methods of using the same HSD11B1, HSD17B1, HSD3B1 HSD11B1 1/4885ALDH1A1 78/4885TP53 4164/4885

“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.