SCHEMBL3488099

SCHEMBL3488099

O=C(O)O[C@H]1CN(Cc2ccccc2)CC[C@@H]1c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.47
CCR5 P51681 1/20 0.47
MAOB P27338 1/20 0.46
ALDH1A1 P00352 1/20 0.46
S1PR5 Q9H228 1/20 0.45
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
CHRM2 P08172 3/20 0.45
CHRM4 P08173 3/20 0.45
CHRM5 P08912 3/20 0.45
CHRM1 P11229 3/20 0.45
CHRM3 P20309 3/20 0.45
KDM1A O60341 1/20 0.45

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
SCHEMBL4399964 0.88 RORC (0.50) BCHECCR5MAOBS1PR5SIGMAR1
SCHEMBL4413002 0.88 RORC (0.50) BCHECCR5MAOBS1PR5SIGMAR1
SCHEMBL19994149 0.81 SIGMAR1 (0.51) MEN1KMT2ASIGMAR1CHRM2CHRM4
SCHEMBL250507 0.79 BCHE (0.61) BCHEMAOBALDH1A1S1PR5MEN1
SCHEMBL11558282 0.79 FUCA1 (0.60) BCHECCR5MAOBALDH1A1SIGMAR1
SCHEMBL11558275 0.79 FUCA1 (0.60) BCHECCR5MAOBALDH1A1SIGMAR1
SCHEMBL11558271 0.79 FUCA1 (0.60) BCHECCR5MAOBALDH1A1SIGMAR1
SCHEMBL13209020 0.77 CCR5 (0.53) CCR5MAOBALDH1A1S1PR5MEN1
SCHEMBL8313882 0.76 BCHE (0.70) BCHEMEN1TSHRKMT2ASIGMAR1
SCHEMBL10508986 0.75 BCHE (0.56) BCHEMAOBS1PR5SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 EP 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-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 BCHE 1015/4885CCR5 3078/4885MAOB 66/4885

“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.