SCHEMBL5510053

SCHEMBL5510053

C=CCC1c2cc(Br)ccc2NCC1O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 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
SCHEMBL5510050 1.00 HTR2A (0.33) HTR2AHTR2CHTR2BKDM4EALDH1A1
SCHEMBL5510047 1.00 HTR2A (0.33) HTR2AHTR2CHTR2BKDM4EALDH1A1
SCHEMBL4198062 0.80 HTR1A (0.37) KDM4EALDH1A1
SCHEMBL5507570 0.80 HTR1A (0.37) KDM4EALDH1A1
SCHEMBL5507571 0.80 HTR1A (0.37) KDM4EALDH1A1
SCHEMBL4198061 0.80 HTR1A (0.37) KDM4EALDH1A1
SCHEMBL4198060 0.80 HTR1A (0.37) KDM4EALDH1A1
SCHEMBL17785902 0.69 HTR2A (0.53) HTR2AHTR2CHTR2BALDH1A1CA1
SCHEMBL14095798 0.68 PNMT (0.37) HTR2AHTR2CHTR2BCA1CA2
SCHEMBL5047298 0.68 TP53 (0.35) HTR2AHTR2CHTR2BCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HTR2A 515/4885HTR2C 583/4885HTR2B 736/4885

“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.