SCHEMBL2801799

SCHEMBL2801799

Cc1ccccc1Nc1c(C(=O)N2CCC3(CC2)COc2ccccc23)cnc2c(C(=O)O)cnn12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.43
AVPR1A P37288 1/20 0.42
PDE4B Q07343 1/20 0.39
PRSS1 P07477 5/20 0.37
PRSS2 P07478 5/20 0.37
PRSS3 P35030 5/20 0.37
TP53 P04637 2/20 0.36
SCD O00767 1/20 0.36
CNR2 P34972 3/20 0.36
POLB P06746 2/20 0.36
CNR1 P21554 1/20 0.36
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RBP4 P02753 1/20 0.34
HPGD P15428 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
SCHEMBL2800426 0.93 AVPR1A (0.41) IDO1AVPR1APDE4BPRSS1PRSS2
SCHEMBL2801651 0.93 IDO1 (0.41) IDO1AVPR1APDE4BPRSS1PRSS2
SCHEMBL2800886 0.91 IDO1 (0.43) IDO1AVPR1APDE4BPRSS1PRSS2
SCHEMBL2799126 0.91 PRSS1 (0.39) IDO1AVPR1APDE4BPRSS1PRSS2
SCHEMBL2802960 0.89 IDO1 (0.39) IDO1AVPR1APDE4BPRSS1PRSS2
SCHEMBL2801503 0.88 AVPR1A (0.42) IDO1AVPR1APDE4BPRSS1PRSS2
SCHEMBL2801774 0.88 AVPR1A (0.41) IDO1AVPR1APDE4BPRSS1PRSS2
SCHEMBL2801267 0.86 RBP4 (0.51) IDO1PDE4BTP53POLBALDH1A1
SCHEMBL2802426 0.85 IDO1 (0.43) IDO1AVPR1APRSS1PRSS2PRSS3
SCHEMBL2799530 0.85 IDO1 (0.36) IDO1AVPR1APDE4BCNR1ALDH1A1

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 4789/4885PDE4B 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.