SCHEMBL2801767

SCHEMBL2801767

O=C(O)c1cnn2c(Nc3cccc4[nH]ccc34)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPR P35270 4/20 0.47
MGLL Q99685 3/20 0.46
TRPV1 Q8NER1 1/20 0.42
AVPR1A P37288 1/20 0.41
MAPK14 Q16539 2/20 0.41
TPSAB1 Q15661 1/20 0.39
ALDH1A1 P00352 1/20 0.38
OPRM1 P35372 1/20 0.38
KDM4C Q9H3R0 1/20 0.37
CCR5 P51681 1/20 0.37
SIRT5 Q9NXA8 1/20 0.37
SYK P43405 1/20 0.36
FASN P49327 1/20 0.36
BTK Q06187 1/20 0.36

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
SCHEMBL2801492 0.90 SPR (0.45) SPRMGLLTRPV1AVPR1AMAPK14
SCHEMBL2801669 0.89 SPR (0.43) SPRMGLLTRPV1AVPR1AMAPK14
SCHEMBL2800586 0.86 SPR (0.45) SPRMGLLAVPR1AALDH1A1KDM4C
SCHEMBL2801644 0.84 SPR (0.44) SPRMGLLAVPR1AMAPK14ALDH1A1
SCHEMBL2802215 0.84 ALDH1A1 (0.42) SPRTRPV1ALDH1A1KDM4CSIRT5
SCHEMBL2800076 0.83 SPR (0.44) SPRMGLLAVPR1AMAPK14ALDH1A1
SCHEMBL2801102 0.83 SIRT5 (0.50) SPRMGLLAVPR1AALDH1A1CCR5
SCHEMBL2801085 0.83 PDE4B (0.44) SPRALDH1A1SIRT5FASN
SCHEMBL2800063 0.83 SPR (0.44) SPRTRPV1ALDH1A1SIRT5FASN
SCHEMBL2798484 0.82 MGLL (0.47) SPRMGLLTPSAB1ALDH1A1SYK

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 SPR 2955/4885MGLL 4369/4885TRPV1 1735/4885

“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.