SCHEMBL18212467

SCHEMBL18212467

C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)CC2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 1/20 0.43
HRH2 P25021 2/20 0.43
HRH1 P35367 2/20 0.43
PREP P48147 1/20 0.41
CTSL P07711 2/20 0.40
CTSK P43235 2/20 0.40
CTSB P07858 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CYP2D6 P10635 2/20 0.39
KMT2A Q03164 4/20 0.39
CYP2C19 P33261 1/20 0.38
MEN1 O00255 3/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL27469778 1.00 CYP1A2 (0.43) CYP1A2CYP2C9HRH2HRH1PREP
SCHEMBL27470196 0.94 CYP1A2 (0.44) CYP1A2CYP2C9HRH2HRH1PREP
Hydrochloric Acid SCHEMBL30966747 0.92 HRH2 (0.39) CYP1A2CYP2C9HRH2HRH1PREP
SCHEMBL21981480 0.85 CYP2C9 (0.40) CYP1A2CYP2C9HRH2HRH1PREP
SCHEMBL21981481 0.85 CYP2C9 (0.40) CYP1A2CYP2C9HRH2HRH1PREP
SCHEMBL23845173 0.84 CTSK (0.50) HRH2HRH1PREPCTSLCTSK
SCHEMBL5416784 0.84 CTSK (0.50) HRH2HRH1PREPCTSLCTSK
SCHEMBL13287349 0.84 CTSK (0.50) HRH2HRH1PREPCTSLCTSK
SCHEMBL18212464 0.83 CYP2C9 (0.44) CYP1A2CYP2C9HRH2HRH1PREP
SCHEMBL27269476 0.83 CTSK (0.46) CYP1A2CYP2C9HRH2HRH1CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025085852-A1 COMPOUNDS, COMPOSITIONS, AND METHODS NICO THERAPEUTICS, INC. (US) 2025-04-24 WO disclosed
WO-2024108155-A2 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2024-05-23 WO disclosed
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 CYP1A2 2659/4885CYP2C9 3154/4885HRH2 1370/4885
US-20160326124-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 CYP1A2 2659/4885CYP2C9 3154/4885HRH2 1370/4885

“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.