SCHEMBL4198060

SCHEMBL4198060

C=CC[C@H]1c2ccccc2NC[C@@H]1O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.37
BCHE P06276 1/20 0.36
ALDH1A1 P00352 2/20 0.34
PRCP P42785 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CCKBR P32239 2/20 0.32
PAX8 Q06710 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PARP3 Q9Y6F1 1/20 0.31

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
SCHEMBL5507570 1.00 HTR1A (0.37) HTR1ABCHEALDH1A1PRCPKDM4E
SCHEMBL4198062 1.00 HTR1A (0.37) HTR1ABCHEALDH1A1PRCPKDM4E
SCHEMBL4198061 1.00 HTR1A (0.37) HTR1ABCHEALDH1A1PRCPKDM4E
SCHEMBL5507571 1.00 HTR1A (0.37) HTR1ABCHEALDH1A1PRCPKDM4E
SCHEMBL5510047 0.80 HTR2A (0.33) ALDH1A1KDM4E
SCHEMBL5510050 0.80 HTR2A (0.33) ALDH1A1KDM4E
SCHEMBL13176602 0.77 CCKBR (0.39) HTR1AALDH1A1PRCPKDM4ECCKBR
SCHEMBL4207481 0.72 PARP3 (0.40) ALDH1A1CCKBRPAX8MEN1KMT2A
SCHEMBL6443468 0.71 PRCP (0.33) PRCPCCKBRPAX8MEN1KMT2A
SCHEMBL8703745 0.68 CHRNB4 (0.37) ALDH1A1CCKBRPAX8MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009103007-A2 STEROID HORMONE RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-08-20 WO disclosed
US-20070254917-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INC. 2007-11-01 US disclosed
EP-1778233-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 2007-05-02 EP disclosed
WO-2006019716-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 2006-02-23 WO 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-20070254917-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS CASR, GRK2, RYR2 HTR1A 816/4885BCHE 4375/4885ALDH1A1 4580/4885

“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.