SCHEMBL18205221

SCHEMBL18205221

O=C(O)NC(C(=O)N1CCCC1)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.45
DPP7 Q9UHL4 7/20 0.45
CCR1 P32246 1/20 0.39
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
PREP P48147 2/20 0.36
POLB P06746 1/20 0.36
KCNH2 Q12809 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
SCHEMBL3114764 0.93 DPP4 (0.51) DPP4DPP7CCR1HTTPREP
SCHEMBL3122924 0.87 CCR1 (0.38) DPP4DPP7CCR1KCNH2
SCHEMBL16602570 0.82 ALDH1A1 (0.35) DPP4DPP7CCR1KCNH2
SCHEMBL18596306 0.80 DPP4 (0.43) DPP4DPP7PREPKCNH2
SCHEMBL15458248 0.80 DPP4 (0.43) DPP4DPP7PREPKCNH2
SCHEMBL15457806 0.75 TP53 (0.47) DPP4DPP7CCR1HTT
SCHEMBL15457807 0.75 DPP4 (0.49) DPP4DPP7CCR1HTTPREP
SCHEMBL28650981 0.75 AAK1 (0.44) HPGDPREP
SCHEMBL18215143 0.75 AAK1 (0.44) HPGDPREP
SCHEMBL18215087 0.75 AAK1 (0.44) HPGDPREP

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 DPP4 1461/4885DPP7 581/4885CCR1 4168/4885
US-10053434-B2 Histone deacetylase inhibitors and compositions and methods of use thereof HDAC1, HDAC7, HDAC5 DPP4 1461/4885DPP7 581/4885CCR1 4168/4885
US-20160326124-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 DPP4 1461/4885DPP7 581/4885CCR1 4168/4885

“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.