SCHEMBL2799683

SCHEMBL2799683

O=C(c1cnc2c(Br)cnn2c1NCc1ccccc1)N1CCC2(CC1)COc1ccccc12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
AVPR1A P37288 1/20 0.41
PRSS1 P07477 9/20 0.39
PRSS2 P07478 9/20 0.39
PRSS3 P35030 9/20 0.39
SCD O00767 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
S1PR5 Q9H228 4/20 0.35
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34
SLC6A7 Q99884 1/20 0.33

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
SCHEMBL2802426 0.92 IDO1 (0.43) IDO1AVPR1APRSS1PRSS2PRSS3
SCHEMBL2803820 0.91 S1PR5 (0.37) IDO1AVPR1APRSS1PRSS2PRSS3
SCHEMBL2801247 0.86 IDO1 (0.39) IDO1AVPR1APRSS1PRSS2PRSS3
SCHEMBL2801078 0.85 RBP4 (0.44)
SCHEMBL2803162 0.85 IDO1 (0.38) IDO1AVPR1APRSS1PRSS2PRSS3
SCHEMBL2800886 0.85 IDO1 (0.43) IDO1AVPR1APRSS1PRSS2PRSS3
SCHEMBL2801703 0.84 IDO1 (0.38) IDO1AVPR1APRSS1PRSS2PRSS3
SCHEMBL2801347 0.83 S1PR5 (0.38) IDO1AVPR1APRSS1PRSS2PRSS3
SCHEMBL2801650 0.82 AVPR1A (0.46) AVPR1A
SCHEMBL15698540 0.82 AVPR1A (0.41) IDO1AVPR1APRSS1PRSS2PRSS3

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 IDO1 2086/4885AVPR1A 4789/4885PRSS1 1048/4885

“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.