SCHEMBL23866994

SCHEMBL23866994

CNC(=O)CCc1cccc(CC(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
FFAR1 O14842 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 0.41
MTNR1A P48039 3/20 0.41
MTNR1B P49286 2/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RECQL P46063 1/20 0.41
NR1H2 P55055 1/20 0.40
PCNA P12004 1/20 0.40
HPGD P15428 1/20 0.40
TBXAS1 P24557 1/20 0.40
ACSS2 Q9NR19 1/20 0.40

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
SCHEMBL19287558 0.86 RAB9A (0.43) NPC1RAB9AGAAMAPTALDH1A1
SCHEMBL19540907 0.85 MTNR1A (0.48) CYP4F2CYP4A11FFAR1GAAMAPT
SCHEMBL16015432 0.82 MAPT (0.48) CYP4F2CYP4A11FFAR1GAAMAPT
SCHEMBL12993335 0.81 CYP2C19 (0.46) CYP4F2CYP4A11FFAR1NPC1RAB9A
SCHEMBL23866985 0.81 SIRT2 (0.49) CYP4F2CYP4A11ALDH1A1KDM4E
SCHEMBL20109375 0.81 FFAR1 (0.46) CYP4F2CYP4A11FFAR1RAB9AGAA
SCHEMBL14548815 0.81 MAOA (0.50) CYP4F2CYP4A11FFAR1GAAMAPT
SCHEMBL19182347 0.81 FFAR1 (0.49) CYP4F2CYP4A11FFAR1RAB9AGAA
SCHEMBL14724832 0.79 MEN1 (0.53) FFAR1NPC1RAB9AGAAMAPT
SCHEMBL21103820 0.78 HDAC2 (0.45) CYP4F2CYP4A11FFAR1RAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210300903-A1 SIGMA RECEPTOR BINDERS UNIV TEXAS (US) 2021-09-30 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-20210300903-A1 SIGMA RECEPTOR BINDERS SIGMAR1, OPRK1, OPRL1 CYP4F2 3855/4885CYP4A11 3291/4885FFAR1 178/4885

“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.