SCHEMBL2801666

SCHEMBL2801666

CC(C)(C)N1CCC2(CC1)CN(C(=O)O)c1ccccc12

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.58
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
OPRM1 P35372 1/20 0.45
GRIN1 Q05586 1/20 0.45
KCNH2 Q12809 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
HDAC1 Q13547 5/20 0.44
HDAC6 Q9UBN7 5/20 0.44
NPY5R Q15761 4/20 0.40
KDM1A O60341 1/20 0.40
SLC18A3 Q16572 3/20 0.40
SIGMAR1 Q99720 2/20 0.40
HDAC8 Q9BY41 2/20 0.40

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
SCHEMBL30232632 0.83 NOTUM (0.61) NOTUMHDAC1HDAC6NPY5RSLC18A3
SCHEMBL29190458 0.81 NOTUM (0.72) NOTUMHDAC1HDAC6NPY5RSLC18A3
SCHEMBL23289929 0.78 HDAC1 (0.64) NOTUMHDAC1HDAC6SIGMAR1HDAC8
SCHEMBL28306426 0.78 NOTUM (0.56) NOTUMHDAC1HDAC6NPY5R
SCHEMBL30232786 0.78 NOTUM (0.63) NOTUMHDAC1HDAC6NPY5RHDAC8
SCHEMBL30898655 0.78 NOTUM (0.63) NOTUMHDAC1HDAC6
SCHEMBL1572534 0.78 NOTUM (0.63) NOTUMHDAC1HDAC6NPY5RHDAC8
SCHEMBL1223510 0.78 NOTUM (0.76) NOTUMHDAC1HDAC6NPY5R
SCHEMBL13208648 0.77 NOTUM (0.56) NOTUMOPRM1HDAC1HDAC6SLC18A3
SCHEMBL14580767 0.76 NOTUM (0.54) NOTUMOPRM1SLC18A3SIGMAR1

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 NOTUM 537/4885GRIN2D 4836/4885GRIN3B 4777/4885

“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.