SCHEMBL6285597

SCHEMBL6285597

O=C(O[C@@]1(Cc2ccccc2)CCCN1C(=O)O)c1c[nH]c2ccc(Br)cc12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.46
SIGMAR1 Q99720 1/20 0.42
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRB2 P47870 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
THPO P40225 1/20 0.38

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
SCHEMBL707002 0.84 SIGMAR1 (0.43) NR4A2SIGMAR1BCHEACHE
SCHEMBL7816473 0.80 NR4A2 (0.47) NR4A2GABRA1GABRB1GABRA3GABRB2
SCHEMBL774724 0.74 GABRA1 (0.41) NR4A2SIGMAR1GABRA1GABRB1GABRA3
SCHEMBL774723 0.73 NR4A2 (0.43) NR4A2GABRA1GABRB1GABRA3GABRB2
SCHEMBL16920143 0.72 NR4A2 (0.61) NR4A2GABRA1GABRB1GABRA3GABRB2
SCHEMBL2296301 0.69 CHRM2 (0.49) GABRA1GABRB2
SCHEMBL2296295 0.69 CHRM2 (0.49) GABRA1GABRB2
SCHEMBL3130492 0.68 NR4A2 (0.55) NR4A2SIGMAR1GABRA1GABRB1GABRA3
SCHEMBL17417676 0.68 CYP2C19 (0.65)
SCHEMBL9340439 0.68 ALDH1A1 (0.71) NR4A2GABRA1GABRB1GABRA3GABRB2

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 3114/4885SIGMAR1 2839/4885GABRA1 1306/4885

“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.