SCHEMBL2798640

SCHEMBL2798640

O=C(O)c1cnn2c(NCC3CCCCC3)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
SPR P35270 3/20 0.40
KDM4C Q9H3R0 3/20 0.40
ASPH Q12797 2/20 0.39
KDM8 Q8N371 2/20 0.39
KDM4E B2RXH2 1/20 0.39
RIOX2 Q8IUF8 1/20 0.39
SIRT5 Q9NXA8 1/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL2801309 0.91 ADORA3 (0.39) ADORA3ADORA2AADORA1SPRKDM4E
SCHEMBL2803183 0.90 SPR (0.38) ADORA3ADORA2AADORA1SPRKDM4E
SCHEMBL2800936 0.86 STAT6 (0.42) ADORA3ADORA2AADORA1SPRKDM4C
SCHEMBL2801745 0.84 SPR (0.41) SPRKDM4CASPHKDM8KDM4E
SCHEMBL2802021 0.81 SPR (0.41) SPRKDM4CKDM4EALDH1A1L3MBTL1
SCHEMBL2801219 0.81 VNN1 (0.48) KDM4C
SCHEMBL2801085 0.80 PDE4B (0.44) SPRKDM4ESIRT5ALDH1A1L3MBTL1
SCHEMBL2801102 0.80 SIRT5 (0.50) SPRSIRT5ALDH1A1L3MBTL1HPGD
SCHEMBL2798414 0.80 STAT6 (0.43) ADORA3ADORA2AADORA1SPRKDM4C
SCHEMBL2801054 0.80 CCR1 (0.45)

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 ADORA3 3783/4885ADORA2A 4017/4885ADORA1 2960/4885

“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.