SCHEMBL15768704

SCHEMBL15768704

NC(=O)C1(c2ccnnc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.38
LMNA P02545 1/20 0.37
FLT4 P35916 1/20 0.37
HSD17B10 Q99714 1/20 0.34
ALOX5 P09917 1/20 0.34
SYK P43405 2/20 0.33
CYP11B2 P19099 1/20 0.33
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33
MLYCD O95822 1/20 0.32
OPRL1 P41146 3/20 0.32
OPRM1 P35372 2/20 0.32
LOXL2 Q9Y4K0 1/20 0.31
HSD11B1 P28845 2/20 0.31
CHEK1 O14757 1/20 0.30
AURKA O14965 1/20 0.30
DAPK3 O43293 1/20 0.30
PRKD3 O94806 1/20 0.30
MAP4K4 O95819 1/20 0.30
PAK4 O96013 1/20 0.30

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
SCHEMBL5200961 0.79 HSD11B1 (0.46) LMNAALOX5SYKCYP11B2OPRL1
Hydrochloric Acid SCHEMBL6504195 0.77 HSD11B1 (0.45) LMNAALOX5SYKCYP11B2OPRL1
SCHEMBL10002454 0.76 OPRM1 (0.49) HCAR2LMNASYKOPRL1OPRM1
SCHEMBL89807 0.72 LMNA (0.51) LMNAALOX5OPRL1OPRM1HSD11B1
SCHEMBL10002396 0.72 LMNA (0.47) LMNAALOX5OPRL1OPRM1HSD11B1
SCHEMBL12002678 0.71 OPRL1 (0.50) LMNAALOX5SYKCYP11B2MLYCD
SCHEMBL3679512 0.71 NAPRT (0.42) LMNACYP11B2OPRL1OPRM1HSD11B1
SCHEMBL19817395 0.71 CYP11B2 (0.41) HCAR2LMNAFLT4ALOX5CYP11B2
SCHEMBL5201676 0.70 LMNA (0.51) LMNAALOX5OPRL1OPRM1HSD11B1
SCHEMBL15348892 0.70 OPRM1 (0.47) HCAR2LMNAOPRL1OPRM1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765054-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-09-19 US disclosed
US-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation (US) 2014-06-12 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 (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-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 HCAR2 1478/4885LMNA 468/4885FLT4 4750/4885

“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.