SCHEMBL2097902

SCHEMBL2097902

Nc1ccc(N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2(c4ccc(Cl)cc4)CC2)C3)nc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 2/20 0.47
KCNH2 Q12809 1/20 0.40
HSP90AA1 P07900 8/20 0.39
HSP90AB1 P08238 8/20 0.39
KIT P10721 1/20 0.39
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC4 P56524 1/20 0.37
FFAR2 O15552 2/20 0.36
HSD11B1 P28845 4/20 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
SCHEMBL2096988 1.00 AVPR1A (0.47) AVPR1AKCNH2HSP90AA1HSP90AB1KIT
SCHEMBL13415853 0.90 HSP90AA1 (0.42) AVPR1AHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL2098543 0.88 HSP90AA1 (0.51) AVPR1AHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL2099002 0.88 HSP90AA1 (0.51) AVPR1AHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL1116559 0.87 HSP90AA1 (0.47) AVPR1AKCNH2HSP90AA1HSP90AB1KIT
SCHEMBL1116560 0.87 HSP90AA1 (0.47) AVPR1AKCNH2HSP90AA1HSP90AB1KIT
SCHEMBL2097262 0.86 HSP90AA1 (0.48) AVPR1AKCNH2HSP90AA1HSP90AB1KIT
SCHEMBL2097261 0.86 HSP90AA1 (0.48) AVPR1AKCNH2HSP90AA1HSP90AB1KIT
SCHEMBL1116640 0.85 HSP90AA1 (0.51) AVPR1AHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL2098756 0.85 AVPR1A (0.45) AVPR1AKCNH2HSP90AA1HSP90AB1KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163771-B2 11 β-HSD1 modulators EXELIXIS, INC. (US) 2012-04-24 US claimed
US-20100105675-A2 11 BETA-HSD1 MODULATORS EXELIXIS, INC. (US) 2010-04-29 US claimed
US-20090247515-A1 11 Beta-HSD1 Modulators EXELIXIS, INC. (US) 2009-10-01 US claimed
US-8163771-B2 11 β-HSD1 modulators EXELIXIS, INC. (US) 2012-04-24 US disclosed
US-20100105675-A2 11 BETA-HSD1 MODULATORS EXELIXIS, INC. (US) 2010-04-29 US disclosed
US-20090247515-A1 11 Beta-HSD1 Modulators EXELIXIS, INC. (US) 2009-10-01 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 (2 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-20100105675-A2 11 BETA-HSD1 MODULATORS HSD11B1, HSD11B2, HSD3B1 AVPR1A 317/4885KCNH2 4264/4885HSP90AA1 529/4885
US-20090247515-A1 11 Beta-HSD1 Modulators HSD11B1, HSD11B2, HSD3B1 AVPR1A 311/4885KCNH2 4503/4885HSP90AA1 376/4885

“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.