SCHEMBL6744458

SCHEMBL6744458

CN1C(=O)C(C)(C)C(C)(C)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
LMNA P02545 4/20 0.54
KDM4E B2RXH2 3/20 0.54
HCRTR1 O43613 1/20 0.54
ALDH1A1 P00352 5/20 0.50
PKM P14618 1/20 0.50
RAD52 P43351 1/20 0.49
HTT P42858 4/20 0.46
HPGD P15428 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
TSHR P16473 2/20 0.43
ADAMTS5 Q9UNA0 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALOX15 P16050 1/20 0.43
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
USP2 O75604 1/20 0.42
AKR1B1 P15121 1/20 0.41

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
SCHEMBL10133697 0.85 LMNA (0.48) MAPTLMNAKDM4EHCRTR1ALDH1A1
SCHEMBL1260714 0.82 MAPT (0.56) MAPTLMNAKDM4EHCRTR1ALDH1A1
SCHEMBL31238640 0.82 MAPT (0.56) MAPTLMNAKDM4EHCRTR1ALDH1A1
SCHEMBL29083889 0.79 MAPT (0.58) MAPTLMNAKDM4EHCRTR1ALDH1A1
SCHEMBL31294858 0.78 MAPT (0.53) MAPTLMNAKDM4EHCRTR1ALDH1A1
SCHEMBL15599566 0.76 MAPT (0.54) MAPTLMNAKDM4EHCRTR1ALDH1A1
SCHEMBL30194888 0.76 MAPT (0.54) MAPTLMNAKDM4EHCRTR1ALDH1A1
SCHEMBL16388846 0.76 LMNA (0.50) MAPTLMNAKDM4EHCRTR1ALDH1A1
SCHEMBL2490968 0.74 OPRM1 (0.59) MAPTLMNAKDM4EHCRTR1ALDH1A1
SCHEMBL30548955 0.74 OPRM1 (0.59) MAPTLMNAKDM4EHCRTR1ALDH1A1

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-20040138230-A1 Heterocyclic substituted piperazines for the treatment of schizophrenia ANDREANA TONJA LYNN (US) 2004-07-15 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-20040138230-A1 Heterocyclic substituted piperazines for the treatment of schizophrenia CNR1, DRD2, CNR2 MAPT 2926/4885LMNA 4160/4885KDM4E 1123/4885

“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.