SCHEMBL2801717

SCHEMBL2801717

O=C(O)N1CCC2(CC1)CN(Cc1ccccc1)c1ccccc12

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.65
HDAC6 Q9UBN7 13/20 0.65
HDAC8 Q9BY41 6/20 0.62
RIPK1 Q13546 1/20 0.55
NPY5R Q15761 3/20 0.48
TACR1 P25103 2/20 0.46

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
SCHEMBL3728319 0.87 HDAC1 (0.52) HDAC1HDAC6HDAC8RIPK1
SCHEMBL25239319 0.80 HDAC1 (0.67) HDAC1HDAC6HDAC8RIPK1
SCHEMBL4068492 0.78 RIPK1 (0.64) HDAC1HDAC6HDAC8RIPK1
SCHEMBL23289929 0.76 HDAC1 (0.64) HDAC1HDAC6HDAC8
SCHEMBL5578574 0.76 HDAC1 (0.51) HDAC1HDAC6HDAC8NPY5RTACR1
SCHEMBL1223510 0.76 NOTUM (0.76) HDAC1HDAC6NPY5R
SCHEMBL13228096 0.75 HDAC1 (0.68) HDAC1HDAC6HDAC8TACR1
SCHEMBL13227805 0.75 HDAC1 (0.64) HDAC1HDAC6HDAC8NPY5R
SCHEMBL1587044 0.75 NPY5R (0.44) NPY5R
SCHEMBL13228108 0.75 HDAC1 (0.61) HDAC1HDAC6HDAC8

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 HDAC1 607/4885HDAC6 503/4885HDAC8 369/4885

“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.