SCHEMBL18212464

SCHEMBL18212464

C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC2(CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2D6 P10635 3/20 0.44
ALDH1A1 P00352 2/20 0.44
CTSK P43235 2/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CYP3A4 P08684 8/20 0.40
USP2 O75604 6/20 0.39
PREP P48147 1/20 0.38
HRH2 P25021 2/20 0.38
HRH1 P35367 2/20 0.38
TSHR P16473 3/20 0.37
CYP2C19 P33261 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 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
SCHEMBL27470196 0.83 CYP1A2 (0.44) CYP2C9CYP1A2CYP2D6ALDH1A1CTSK
SCHEMBL27469778 0.83 CYP1A2 (0.43) CYP2C9CYP1A2CYP2D6ALDH1A1CTSK
SCHEMBL18212467 0.83 CYP1A2 (0.43) CYP2C9CYP1A2CYP2D6ALDH1A1CTSK
SCHEMBL23845173 0.82 CTSK (0.50) CYP2D6CTSKCTSLCTSBPREP
SCHEMBL5416784 0.82 CTSK (0.50) CYP2D6CTSKCTSLCTSBPREP
SCHEMBL13287349 0.82 CTSK (0.50) CYP2D6CTSKCTSLCTSBPREP
SCHEMBL18205164 0.81 CYP2D6 (0.46) CYP2C9CYP1A2CYP2D6ALDH1A1CYP3A4
SCHEMBL5435526 0.81 CTSK (0.49) CTSKCTSLCTSBPREPHRH2
SCHEMBL4766548 0.81 CTSK (0.49) CTSKCTSLCTSBPREPHRH2
SCHEMBL5451133 0.81 CTSK (0.49) CTSKCTSLCTSBPREPHRH2

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
EP-3291810-B1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2022-08-10 EP disclosed
US-20190202795-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2019-07-04 US 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
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 (2 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 CYP2C9 3154/4885CYP1A2 2659/4885CYP2D6 3895/4885
US-20160326124-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 CYP2C9 3154/4885CYP1A2 2659/4885CYP2D6 3895/4885

“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.