SCHEMBL2801079

SCHEMBL2801079

Cc1ccccc1Nc1c(C(=O)N2CCC3(C=Cc4ccccc43)CC2)cnc2c(C(=O)NS(C)(=O)=O)cnn12

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCHR2 Q969V1 3/20 0.38
OXTR P30559 1/20 0.37
HSD11B1 P28845 1/20 0.35
NPC1L1 Q9UHC9 2/20 0.35
PDE4B Q07343 1/20 0.34
FFAR1 O14842 1/20 0.34

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
SCHEMBL2801139 0.93 MCHR2 (0.40) MCHR2OXTRHSD11B1NPC1L1FFAR1
SCHEMBL2800436 0.91 NPC1L1 (0.39) MCHR2OXTRHSD11B1NPC1L1PDE4B
SCHEMBL2801037 0.87 MCHR2 (0.38) MCHR2OXTRHSD11B1NPC1L1PDE4B
SCHEMBL2801434 0.86 MCHR2 (0.38) MCHR2
SCHEMBL2800930 0.86 MCHR2 (0.39) MCHR2OXTRHSD11B1NPC1L1FFAR1
SCHEMBL2800835 0.85 MCHR2 (0.34) MCHR2NPC1L1
SCHEMBL2800570 0.85 NPC1L1 (0.39) MCHR2OXTRHSD11B1NPC1L1PDE4B
SCHEMBL2801869 0.83 MCHR2 (0.37) MCHR2HSD11B1NPC1L1PDE4BFFAR1
SCHEMBL2801172 0.82 OXTR (0.35) MCHR2OXTRHSD11B1NPC1L1
SCHEMBL2803155 0.79 MCHR2 (0.38) MCHR2

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
EP-2206714-B1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO LTD (JP) 2015-01-21 EP disclosed
US-8729264-B2 Agent for prevention and/or treatment of skin diseases KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-05-20 US disclosed
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-10-07 US disclosed
EP-2206714-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES Kyowa Hakko Kirin Co., Ltd. (JP) 2010-07-14 EP 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-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES TYR, CUTA, SERPINB1 MCHR2 4007/4885OXTR 4827/4885HSD11B1 907/4885

“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.