SCHEMBL503246

SCHEMBL503246

Cc1c(F)cccc1C(N)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 4/20 0.50
MEN1 O00255 2/20 0.44
CYP1A2 P05177 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.38
CYP3A4 P08684 1/20 0.38
CES2 O00748 2/20 0.37
CES1 P23141 2/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
HDAC4 P56524 1/20 0.36

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
SCHEMBL1261293 0.81 PTGS2 (0.46) MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL27966275 0.81 CES2 (0.50) GRM1MEN1CYP1A2KMT2ATDP1
SCHEMBL25660557 0.81 GRM1 (0.53) GRM1MEN1CYP1A2KMT2ATDP1
SCHEMBL20889385 0.81 DPP7 (0.40) SMN1; SMN2GAACES2CES1ESR1
SCHEMBL19682597 0.81 DPP7 (0.40) SMN1; SMN2GAACES2CES1ESR1
SCHEMBL29557378 0.81 GAA (0.50) GRM1MEN1CYP1A2KMT2ATDP1
SCHEMBL15430213 0.81 GAA (0.50) GRM1MEN1CYP1A2KMT2ATDP1
SCHEMBL27967493 0.81 GAA (0.50) GRM1MEN1CYP1A2KMT2ATDP1
SCHEMBL2628067 0.81 GAA (0.50) GRM1MEN1CYP1A2KMT2ATDP1
SCHEMBL7395018 0.80 GRM1 (0.56) GRM1MEN1CYP1A2KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9132136-B2 Pharmaceutical combination HOFFMANN-LA ROCHE INC. (US) 2015-09-15 US disclosed
US-20130345201-A1 PHARMACEUTICAL COMBINATION HOFFMANN-LA ROCHE INC. (US) 2013-12-26 US disclosed
EP-2600853-A1 COMBINATIONS COMPRISING ATYPICAL ANTIPSYCHOTICS AND TAAR1 AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2013-06-12 EP disclosed
CN-103068379-A Combinations comprising an atypical antipsychotic and a TAAR1 agonist HOFFMANN LA ROCHE 2013-04-24 CN disclosed
WO-2012016879-A1 COMBINATIONS COMPRISING ATYPICAL ANTIPSYCHOTICS AND TAAR1 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-09 WO disclosed
US-20120028964-A1 PHARMACEUTICAL COMBINATION SEMINIS VEGETABLE SEEDS, INC. 2012-02-02 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 (2 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-20120028964-A1 PHARMACEUTICAL COMBINATION TAAR1, TAAR5, MC2R GRM1 56/4885MEN1 1916/4885CYP1A2 225/4885
US-20130345201-A1 PHARMACEUTICAL COMBINATION TAAR1, TAAR5, MC2R GRM1 56/4885MEN1 1916/4885CYP1A2 225/4885

“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.