SCHEMBL2801644

SCHEMBL2801644

O=C(O)c1cnn2c(Nc3ccc4cc[nH]c4c3)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPR P35270 3/20 0.44
SYK P43405 3/20 0.42
AVPR1A P37288 1/20 0.41
GHSR Q92847 2/20 0.39
MGLL Q99685 2/20 0.39
KDM4C Q9H3R0 1/20 0.39
MCHR1 Q99705 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TRPC3 Q13507 1/20 0.37
TRPC6 Q9Y210 1/20 0.37
PDE4B Q07343 1/20 0.37
MAPK14 Q16539 1/20 0.36
RXFP2 Q8WXD0 1/20 0.36
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
SIRT5 Q9NXA8 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
SCHEMBL2800076 0.94 SPR (0.44) SPRSYKAVPR1AMGLLKDM4C
SCHEMBL2803185 0.90 SPR (0.43) SPRSYKAVPR1AALDH1A1TRPC3
SCHEMBL2802212 0.89 SPR (0.41) SPRSYKAVPR1AMGLLMCHR1
SCHEMBL2801496 0.85 SPR (0.43) SPRSYKAVPR1AALDH1A1PDE4B
SCHEMBL2800586 0.84 SPR (0.45) SPRSYKAVPR1AMGLLKDM4C
SCHEMBL2801767 0.84 SPR (0.47) SPRSYKAVPR1AMGLLKDM4C
SCHEMBL2801964 0.84 SPR (0.40) SPRSYKAVPR1AMGLLMCHR1
SCHEMBL2801606 0.83 PDE4B (0.48) SPRSYKALDH1A1TRPC3TRPC6
SCHEMBL2799831 0.83 ALDH1A1 (0.47) SPRALDH1A1TRPC3TRPC6PDE4B
SCHEMBL2801238 0.83 DRD2 (0.46) SPRALDH1A1PDE4B

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 2955/4885SYK 958/4885AVPR1A 4789/4885

“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.