SCHEMBL18205136

SCHEMBL18205136

CC(NC(=O)O)C(=O)N1CCc2cnccc2C1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 14/20 0.47
SLC22A12 Q96S37 1/20 0.46
ACE P12821 1/20 0.43
HCRTR2 O43614 1/20 0.42
HPGD P15428 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL16219054 0.85 NAMPT (0.57) NAMPTSLC22A12ACEHPGDGAA
SCHEMBL18215073 0.84 NAMPT (0.44) NAMPTHCRTR2
SCHEMBL28676327 0.84 NAMPT (0.44) NAMPTHCRTR2
SCHEMBL29758943 0.84 NAMPT (0.44) NAMPTHCRTR2
SCHEMBL10423209 0.82 ACE (0.62) ACEHPGD
SCHEMBL10423207 0.82 ACE (0.62) ACEHPGD
SCHEMBL16219038 0.80 NAMPT (0.57) NAMPTSLC22A12ACEHPGDGAA
SCHEMBL2590973 0.79 HPGD (0.51) NAMPTSLC22A12HPGDGAA
SCHEMBL14970362 0.78 NOTUM (0.63) NAMPTSLC22A12HPGDGAA
SCHEMBL18205172 0.78 HDAC4 (0.52) NAMPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190202795-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2019-07-04 US disclosed
US-10053434-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2018-08-21 US disclosed
EP-3291810-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2018-03-14 EP disclosed
WO-2016179554-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2016-11-10 WO disclosed
US-20160326124-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-11-10 US 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 (3 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-20190202795-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 NAMPT 174/4885SLC22A12 3548/4885ACE 589/4885
US-10053434-B2 Histone deacetylase inhibitors and compositions and methods of use thereof HDAC1, HDAC7, HDAC5 NAMPT 174/4885SLC22A12 3548/4885ACE 589/4885
US-20160326124-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 NAMPT 174/4885SLC22A12 3548/4885ACE 589/4885

“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.