SCHEMBL182166

SCHEMBL182166

CC(C)(C(=O)NC1CCN(Cc2ccccc2)CC1)c1cc(F)ccc1Br

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 14/20 0.57
▸ SLC6A12 P48065 1/20 0.56
▸ TMEM97 Q5BJF2 1/20 0.56
▸ MCHR1 Q99705 1/20 0.56
▸ MAOB P27338 1/20 0.56
▸ KMT2A Q03164 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ CCR3 P51677 1/20 0.53
▸ MEN1 O00255 1/20 0.52

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
SCHEMBL13003260 0.78 SIGMAR1 (0.68) SIGMAR1SLC6A12TMEM97MCHR1MAOB
SCHEMBL5402061 0.75 SIGMAR1 (0.68) SIGMAR1SLC6A12TMEM97MCHR1KMT2A
SCHEMBL18658336 0.73 SIGMAR1 (0.71) SIGMAR1SLC6A12TMEM97MCHR1KMT2A
SCHEMBL3997295 0.73 SIGMAR1 (0.62) SIGMAR1SLC6A12TMEM97MCHR1KMT2A
SCHEMBL5862050 0.72 SIGMAR1 (1.00) SIGMAR1CCR3
SCHEMBL1425074 0.72 SIGMAR1 (1.00) SIGMAR1SLC6A12TMEM97MCHR1KMT2A
SCHEMBL8037825 0.72 SIGMAR1 (1.00) SIGMAR1CCR3
SCHEMBL18658299 0.72 SIGMAR1 (0.65) SIGMAR1SLC6A12TMEM97MCHR1CCR3
SCHEMBL17803188 0.72 SIGMAR1 (0.68) SIGMAR1SLC6A12TMEM97MCHR1POLB
Hydrochloric Acid SCHEMBL9785680 0.72 SIGMAR1 (0.97) SIGMAR1SLC6A12TMEM97MCHR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401268-B1 OXYINDOLE DERIVATIVES WITH MOTILIN RECEPTOR AGONISTIC ACTIVITY RAQUALIA PHARMA INC (JP) 2015-07-29 — — EP disclosed
US-8697877-B2 Oxyindole derivatives with motilin receptor agonistic activity RAQUALIA PHARMA INC. (JP) 2014-04-15 — — US disclosed
EP-2401268-A1 OXYINDOLE DERIVATIVES WITH MOTILIN RECEPTOR AGONISTIC ACTIVITY RaQualia Pharma Inc (JP) 2012-01-04 — — EP disclosed
US-20110312933-A1 OXYINDOLE DERIVATIVES WITH MOTILIN RECEPTOR AGONISTIC ACTIVITY RAQUALIA PHARMA INC. (JP) 2011-12-22 — — US disclosed
WO-2010098145-A1 OXYINDOLE DERIVATIVES WITH MOTILIN RECEPTOR AGONISTIC ACTIVITY RAQUALIA PHARMA INC. (JP) 2010-09-02 — — 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-20110312933-A1 OXYINDOLE DERIVATIVES WITH MOTILIN RECEPTOR AGONISTIC ACTIVITY GPR68, GPR88, GPR52 SIGMAR1 138/4885SLC6A12 1260/4885TMEM97 136/4885

“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.

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