SCHEMBL2800570

SCHEMBL2800570

Cc1cccc(Nc2c(C(=O)N3CCC4(C=Cc5ccccc54)CC3)cnc3c(C(=O)O)cnn23)c1F

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1L1 Q9UHC9 2/20 0.39
MCHR2 Q969V1 2/20 0.37
PDE4B Q07343 1/20 0.37
HSD11B1 P28845 1/20 0.36
FFAR1 O14842 2/20 0.36
TP53 P04637 1/20 0.35
OXTR P30559 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
SCHEMBL2800436 0.94 NPC1L1 (0.39) NPC1L1MCHR2PDE4BHSD11B1FFAR1
SCHEMBL2801869 0.90 MCHR2 (0.37) NPC1L1MCHR2PDE4BHSD11B1FFAR1
SCHEMBL2801037 0.85 MCHR2 (0.38) NPC1L1MCHR2PDE4BHSD11B1FFAR1
SCHEMBL2801079 0.85 MCHR2 (0.38) NPC1L1MCHR2PDE4BHSD11B1FFAR1
SCHEMBL2801651 0.84 IDO1 (0.41) PDE4BTP53
SCHEMBL16390908 0.83 NPC1L1 (0.38) NPC1L1MCHR2HSD11B1
SCHEMBL2801139 0.83 MCHR2 (0.40) NPC1L1MCHR2HSD11B1FFAR1OXTR
SCHEMBL2803155 0.82 MCHR2 (0.38) MCHR2
SCHEMBL2801253 0.81 FFAR1 (0.40) NPC1L1MCHR2HSD11B1FFAR1
SCHEMBL2800506 0.81 KMT2A (0.41) PDE4BTP53

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 NPC1L1 3377/4885MCHR2 4007/4885PDE4B 1603/4885

“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.