SCHEMBL6282802

SCHEMBL6282802

O=C(OC1CCCN1C(=O)OCc1ccccc1)c1c[nH]c2ccc(Br)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.44
GABRA1 P14867 3/20 0.44
GABRA3 P34903 3/20 0.44
GABRB2 P47870 3/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA2 P47869 2/20 0.44
PREP P48147 2/20 0.44
UTS2R Q9UKP6 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
KLK7 P49862 1/20 0.41
KLK5 Q9Y337 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41

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
SCHEMBL6279131 0.89 GABRA1 (0.55) GABRA1GABRA3GABRB2GABRG2GABRB3
SCHEMBL774660 0.86 PREP (0.50) GABRA1GABRA3GABRB2GABRG2GABRB3
SCHEMBL6967342 0.86 PREP (0.50) GABRA1GABRA3GABRB2GABRG2GABRB3
SCHEMBL707001 0.86 PREP (0.50) GABRA1GABRA3GABRB2GABRG2GABRB3
SCHEMBL7816472 0.83 NR4A2 (0.47) NR4A2GABRA1GABRA3GABRB2GABRG2
SCHEMBL8542318 0.80 UTS2R (0.51) GABRA1GABRA3GABRB2GABRG2GABRB3
SCHEMBL8875340 0.80 UTS2R (0.51) GABRA1GABRA3GABRB2GABRG2GABRB3
SCHEMBL16920143 0.79 NR4A2 (0.61) NR4A2GABRA1GABRA3GABRB2GABRB1
SCHEMBL8791518 0.79 GABRA1 (0.46) GABRA1GABRA3GABRB2GABRG2GABRB3
SCHEMBL6285592 0.76 NR4A2 (0.46) NR4A2UTS2RSIGMAR1HTR3EHTR3B

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
US-6914145-B2 Acylation process PFIZER, INC. (US) 2005-07-05 US disclosed
EP-1088817-B1 Process for the preparation of 3-acyl-indoles PFIZER LTD (GB) 2003-02-26 EP disclosed
US-20020188138-A1 Acylation process PFIZER INC. 2002-12-12 US disclosed
US-6441192-B1 ADDING ACID CHLORIDE AND ALKYL OR ARYL MAGNESIUM HALIDE SEPARATELY AND SIMULTANEOUSLY TO A STIRRED SOLUTION OF AN INDOLE SUCH THAT THE TWO REAGENTS DO NOT COME INTO IMMEDIATE CONTACT; SYNCHRONISED RATES OF MOLAR ADDITION PFIZER INC. 2002-08-27 US disclosed
EP-1088817-A2 Process for the preparation of 3-acyl-indoles Pfizer Limited (GB) 2001-04-04 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-20020188138-A1 Acylation process IDO1, IDO2, AANAT NR4A2 3114/4885GABRA1 1306/4885GABRA3 720/4885

“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.