SCHEMBL4548529

SCHEMBL4548529

NCc1ccc(C2(c3ccccc3)CO2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.48
TAAR1 Q96RJ0 2/20 0.47
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
DPP4 P27487 1/20 0.37
ABAT P80404 1/20 0.35
ADRA1A P35348 1/20 0.35
ST14 Q9Y5Y6 1/20 0.35

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
SCHEMBL1322736 0.81 CHRM2 (0.46) GRIN1GRIN2ACHRM2CHRM4CHRM5
SCHEMBL5605256 0.79 LOXL2 (0.46) LOXL2TAAR1MAOBMAOAHRH3
SCHEMBL9694525 0.76 LOXL2 (0.52) LOXL2TAAR1GRIN1GRIN2ACHRM2
SCHEMBL11112975 0.75 SLC6A2 (0.44) TAAR1GRIN1GRIN2ACHRM2CHRM4
Butane SCHEMBL19809192 0.75 CHRM2 (0.47) GRIN1GRIN2ACHRM2CHRM4CHRM5
Methyl Alcohol SCHEMBL9850585 0.74 CHRM2 (0.46) GRIN1GRIN2ACHRM2CHRM4CHRM5
SCHEMBL2841570 0.74 ALDH1A1 (0.42) TAAR1GRIN1GRIN2ACHRM2CHRM4
SCHEMBL11641507 0.74 TSHR (0.42) GRIN1GRIN2ACHRM2CHRM4CHRM5
SCHEMBL12533528 0.72 OPRM1 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4536162 0.72 LMNA (0.53) MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168656-B2 Indoleacetic acid and indenacetic acid derivatives as therapeutic agents with reduced gastrointestinal toxicity VANDERBILT UNIVERSITY (US) 2012-05-01 US disclosed
US-8168656-B2 Indoleacetic acid and indenacetic acid derivatives as therapeutic agents with reduced gastrointestinal toxicity VANDERBILT UNIVERSITY (US) 2012-05-01 US disclosed
US-20090118290-A1 Indoleacetic acid and indenacetic acid derivatives as therapeutic agents with reduced gastrointestinal toxicity VANDERBILT UNIVERSITY 2009-05-07 US disclosed
US-20090118290-A1 Indoleacetic acid and indenacetic acid derivatives as therapeutic agents with reduced gastrointestinal toxicity VANDERBILT UNIVERSITY 2009-05-07 US disclosed
US-7491744-B2 Indoleacetic acid and indenacetic acid derivatives as therapeutic agents with reduced gastrointestinal toxicity VANDERBILT UNIVERSITY (US) 2009-02-17 US disclosed
US-7491744-B2 Indoleacetic acid and indenacetic acid derivatives as therapeutic agents with reduced gastrointestinal toxicity VANDERBILT UNIVERSITY (US) 2009-02-17 US disclosed
WO-2005112921-A2 INDOLEACETIC ACID AND INDENACETIC ACID DERIVATIVES AS THERAPEUTIC AGENTS WITH REDUCED GASTROINTESTINAL TOXICITY VANDERBILT UNIVERSITY (US) 2005-12-01 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-20090118290-A1 Indoleacetic acid and indenacetic acid derivatives as therapeutic agents with reduced gastrointestinal toxicity AANAT, FABP2, SI LOXL2 3348/4885TAAR1 273/4885GRIN1 383/4885

“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.