SCHEMBL6285592

SCHEMBL6285592

O=C(O[C@@H]1CCCN1C(C(=O)O)c1ccccc1)c1c[nH]c2ccc(Br)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.46
HTR3E A5X5Y0 2/20 0.42
HTR3B O95264 2/20 0.42
CHRNB2 P17787 2/20 0.42
CHRNA7 P36544 2/20 0.42
CHRNA4 P43681 2/20 0.42
HTR3A P46098 2/20 0.42
HTR3D Q70Z44 2/20 0.42
HTR3C Q8WXA8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
CHRNA1 P02708 1/20 0.40
CHRNG P07510 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR1A P08908 1/20 0.40
CHRM5 P08912 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRNB1 P11230 1/20 0.40

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
SCHEMBL7816472 0.79 NR4A2 (0.47) NR4A2HTR3EHTR3BCHRNB2CHRNA7
SCHEMBL6282802 0.76 NR4A2 (0.44) NR4A2HTR3EHTR3BCHRNB2CHRNA7
SCHEMBL1697438 0.67 SMN1; SMN2 (0.55) NR4A2KDM4ESMN1; SMN2HTTUTS2R
SCHEMBL3796781 0.67 NR4A2 (0.48) NR4A2HTR3EHTR3BHTR3AHTR3D
SCHEMBL16723480 0.66 SIGMAR1 (0.45) NR4A2SMN1; SMN2UTS2RSIGMAR1L3MBTL1
SCHEMBL2085712 0.66 NR4A2 (0.69) NR4A2KDM4ESMN1; SMN2L3MBTL1
SCHEMBL774660 0.65 PREP (0.50) UTS2R
SCHEMBL707001 0.65 PREP (0.50) UTS2R
SCHEMBL6967342 0.65 PREP (0.50) UTS2R
SCHEMBL16920143 0.65 NR4A2 (0.61) NR4A2KDM4EMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6914145-B2 Acylation process PFIZER, INC. (US) 2005-07-05 US 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

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 3114/4885HTR3E 165/4885HTR3B 110/4885

“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.