SCHEMBL2800804

SCHEMBL2800804

O=C(c1cnc2c(Br)cnn2c1NCc1ccccc1)N1CCC(F)(c2ccccc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 2/20 0.37
GSK3B P49841 1/20 0.36
TRPA1 O75762 1/20 0.36
SLC6A7 Q99884 1/20 0.36
OGA O60502 1/20 0.35
SCD5 Q86SK9 1/20 0.35
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK10 P53779 1/20 0.34
CDK2 P24941 1/20 0.34
PDPK1 O15530 1/20 0.34
PRKCZ Q05513 1/20 0.34
MARK2 Q7KZI7 1/20 0.34
SRC P12931 1/20 0.34
TP53BP1 Q12888 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL2802782 0.91 SRC (0.38) VNN1TRPA1SLC6A7OGASCD5
SCHEMBL2803842 0.85 SCD5 (0.36) VNN1TRPA1OGASCD5PDPK1
SCHEMBL2801078 0.83 RBP4 (0.44) CYP3A4
SCHEMBL2801231 0.82 TP53 (0.53) SLC6A7
SCHEMBL2803320 0.82 FFAR1 (0.39)
SCHEMBL2802845 0.82 STAT6 (0.41) SLC6A7TP53BP1L3MBTL3L3MBTL1CYP3A4
SCHEMBL2801650 0.81 AVPR1A (0.46)
SCHEMBL2799683 0.81 IDO1 (0.42) SLC6A7
SCHEMBL2799674 0.81 POLB (0.46) SLC6A7MAPK8MAPK10CYP3A4
SCHEMBL2802395 0.80 KDM4E (0.44) SLC6A7L3MBTL1

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 VNN1 1063/4885GSK3B 4023/4885TRPA1 1076/4885

“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.