SCHEMBL2800787

SCHEMBL2800787

O=C1CC2(CCN(C(=O)c3cnc4c(C(=O)O)cnn4c3NCc3ccccc3)CC2)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
HRH3 Q9Y5N1 1/20 0.38
SRC P12931 1/20 0.36
CRBN Q96SW2 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RIPK1 Q13546 1/20 0.35
SLC6A7 Q99884 1/20 0.35
CYP46A1 Q9Y6A2 2/20 0.34
VNN1 O95497 2/20 0.34
SPR P35270 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ASPH Q12797 1/20 0.33
KDM8 Q8N371 1/20 0.33
RBP4 P02753 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
SCHEMBL2798942 0.91 CCNA2 (0.43) ALDH1A1ADORA3ADORA2AADORA1L3MBTL1
SCHEMBL2802390 0.86 NPY5R (0.47)
SCHEMBL2802606 0.85 RBP4 (0.49) ALDH1A1SRCADORA3ADORA2AADORA1
SCHEMBL2799515 0.85 ADORA3 (0.37) ALDH1A1SRCADORA3ADORA2AADORA1
SCHEMBL2802426 0.84 IDO1 (0.43) SRCADORA3ADORA2AADORA1SLC6A7
SCHEMBL2801330 0.83 VNN1 (0.36) ALDH1A1SRCADORA3ADORA2AADORA1
SCHEMBL16390878 0.82 ALDH1A1 (0.39) ALDH1A1HRH3ADORA3ADORA2AADORA1
SCHEMBL2802782 0.81 SRC (0.38) ALDH1A1SRCADORA3ADORA2AADORA1
SCHEMBL2801253 0.81 FFAR1 (0.40) ADORA3ADORA2AADORA1
SCHEMBL2801151 0.81 TRPA1 (0.36) ALDH1A1SRCADORA3ADORA2AADORA1

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 ALDH1A1 243/4885HRH3 2544/4885SRC 722/4885

“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.