SCHEMBL2803820

SCHEMBL2803820

O=C(c1cnc2c(Br)cnn2c1NCc1ccccc1)N1CCC2(CC1)COc1cc(F)ccc12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 6/20 0.37
PRSS1 P07477 4/20 0.36
PRSS2 P07478 4/20 0.36
PRSS3 P35030 4/20 0.36
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36
AVPR1A P37288 1/20 0.35
IDO1 P14902 2/20 0.35
TDO2 P48775 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
GSK3B P49841 1/20 0.34
CYP46A1 Q9Y6A2 1/20 0.34
SCN5A Q14524 2/20 0.34
SCN9A Q15858 2/20 0.34
MAPK10 P53779 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 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
SCHEMBL2801347 0.93 S1PR5 (0.38) S1PR5PRSS1PRSS2PRSS3S1PR1
SCHEMBL2799683 0.91 IDO1 (0.42) S1PR5PRSS1PRSS2PRSS3S1PR1
SCHEMBL2803954 0.87 ALDH1A1 (0.36) S1PR5PRSS1PRSS2PRSS3S1PR1
SCHEMBL2802426 0.83 IDO1 (0.43) S1PR5PRSS1PRSS2PRSS3S1PR1
SCHEMBL16390951 0.82 PRSS1 (0.38) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2801078 0.80 RBP4 (0.44)
SCHEMBL2801231 0.79 TP53 (0.53) KDM4EMAPT
SCHEMBL2800804 0.79 VNN1 (0.37) GSK3BSCN5ASCN9AMAPK10
SCHEMBL2801151 0.78 TRPA1 (0.36) PRSS1PRSS2PRSS3IDO1KDM4E
SCHEMBL2801247 0.78 IDO1 (0.39) S1PR5PRSS1PRSS2PRSS3AVPR1A

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 S1PR5 3628/4885PRSS1 1048/4885PRSS2 1347/4885

“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.