SCHEMBL4535245

SCHEMBL4535245

BrCC=CC(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.36
TAAR1 Q96RJ0 1/20 0.36
DPP4 P27487 2/20 0.33
TSHR P16473 2/20 0.33
HRH1 P35367 2/20 0.33
TRPA1 O75762 2/20 0.33
MTOR P42345 1/20 0.33
RAB9A P51151 1/20 0.33
GRM7 Q14831 1/20 0.33
ALDH1A1 P00352 1/20 0.33
F2 P00734 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL7413797 0.78 IDO1 (0.34) DPP4
SCHEMBL2095477 0.77 TAAR1 (0.36) HTR2ATAAR1DPP4TSHRHRH1
SCHEMBL2095479 0.77 TAAR1 (0.36) HTR2ATAAR1DPP4TSHRHRH1
SCHEMBL6946458 0.77 LMNA (0.41) HTR2ATAAR1TSHRHRH1TRPA1
SCHEMBL7427771 0.77 TSHR (0.39) HTR2ATAAR1DPP4TSHRHRH1
SCHEMBL8522965 0.77 DPP4 (0.45) HTR2ATAAR1DPP4TSHRHRH1
SCHEMBL9317922 0.74 CYP1A2 (0.42) HTR2ATAAR1TSHRHRH1TRPA1
SCHEMBL9317926 0.74 CYP1A2 (0.42) HTR2ATAAR1TSHRHRH1TRPA1
SCHEMBL10361924 0.74 ALDH1A1 (0.44) TSHRALDH1A1
SCHEMBL2387572 0.69 DPP4 (0.38) HTR2ATAAR1DPP4TSHRHRH1

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-7488755-B2 Derivatives of glycinergic R(+)-2-amino-3-hydroxypropanoic acid PRESTWICK PHARMACEUTICALS, INC. (US) 2009-02-10 US disclosed
US-20050261372-A1 Derivatives of glycinergic r(+)-2-amino-3-hydroxypropanoic acid ORAPHARMA, INC. 2005-11-24 US disclosed
US-5334720-A Diphenyl-1-(aminoalkyl)-2-piperidinone and -2-pyrrolidinone derivatives having anticonvulsant properties FISONS CORPORATION (US) 1994-08-02 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-20050261372-A1 Derivatives of glycinergic r(+)-2-amino-3-hydroxypropanoic acid GLRA3, GLRA1, GLRA2 HTR2A 70/4885TAAR1 237/4885DPP4 2343/4885

“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.