SCHEMBL3900326

SCHEMBL3900326

OCc1ccc(C2CCCCC2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.43
BACE1 P56817 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
TMEM97 Q5BJF2 1/20 0.42
EBP Q15125 1/20 0.42
THRB P10828 1/20 0.40
CEL P19835 2/20 0.40
PTGDR2 Q9Y5Y4 6/20 0.38
PTGDR Q13258 4/20 0.38
PTGER2 P43116 1/20 0.38
TSHR P16473 2/20 0.38
GAA P10253 1/20 0.38
AGTR1 P30556 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
S1PR1 P21453 1/20 0.38
DRD2 P14416 1/20 0.37

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
SCHEMBL10088507 0.98 SLC6A2 (0.44) NUDT1BACE1SLC6A2SLC6A4SLC6A3
SCHEMBL15778748 0.91 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3S1PR1
SCHEMBL11674401 0.87 BACE1 (0.48) NUDT1BACE1SIGMAR1TMEM97EBP
SCHEMBL11674174 0.84 SIGMAR1 (0.43) NUDT1BACE1SIGMAR1TMEM97EBP
SCHEMBL10829892 0.83 SIGMAR1 (0.48) NUDT1BACE1SIGMAR1TMEM97EBP
SCHEMBL11675755 0.81 NUDT1 (0.45) NUDT1BACE1SIGMAR1TMEM97EBP
SCHEMBL3454286 0.81 THRB (0.57) SLC6A2SLC6A4SLC6A3SIGMAR1THRB
SCHEMBL27520139 0.80 NUDT1 (0.44) NUDT1BACE1SIGMAR1TMEM97EBP
SCHEMBL11799765 0.80 NUDT1 (0.44) NUDT1BACE1SIGMAR1TMEM97EBP
Methane SCHEMBL11048849 0.80 THRB (0.56) SLC6A2SLC6A4SLC6A3SIGMAR1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP disclosed
US-4004026-A Dicarboxylic acids and derivatives in the treatment of pain and inflammation CIBA-GEIGY CORPORATION (US) 1977-01-18 US disclosed
US-3940434-A ANTIINFLAMMATORY, ANALGESIC CIBA-GEIGY CORPORATION (US) 1976-02-24 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-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 NUDT1 3189/4885BACE1 2682/4885SLC6A2 1583/4885

“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.