SCHEMBL829571

SCHEMBL829571

CN1CCCN(C(=O)Oc2ccccc2Br)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
POLB P06746 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
HTT P42858 2/20 0.47
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.46
CHRM3 P20309 1/20 0.43
CHRM1 P11229 1/20 0.43
PRMT5 O14744 1/20 0.43

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
SCHEMBL21089037 0.94 TP53 (0.51) NCEH1SMN1; SMN2ALDH1A1GAAPOLB
SCHEMBL829466 0.87 SMN1; SMN2 (0.65) NCEH1SMN1; SMN2ALDH1A1GAAPOLB
SCHEMBL829196 0.85 SMN1; SMN2 (0.63) NCEH1SMN1; SMN2ALDH1A1GAAPOLB
SCHEMBL14740655 0.84 HTT (0.55) NCEH1SMN1; SMN2ALDH1A1GAATDP1
SCHEMBL830050 0.83 SMN1; SMN2 (0.60) NCEH1SMN1; SMN2ALDH1A1GAAPOLB
SCHEMBL829640 0.77 GAA (0.64) NCEH1SMN1; SMN2ALDH1A1GAATDP1
SCHEMBL18297996 0.75 SMN1; SMN2 (0.76) NCEH1SMN1; SMN2ALDH1A1GAAPOLB
SCHEMBL9460569 0.74 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1GAAPOLBKMT2A
SCHEMBL10471511 0.74 TP53 (0.53) SMN1; SMN2ALDH1A1GAAPOLBTDP1
SCHEMBL20626906 0.74 ALDH1A1 (0.46) NCEH1SMN1; SMN2ALDH1A1GAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143257-B2 inhibiting angiogenesis; cancer, diabetic retinopathy, rheumatoid arthritis, psoriasis, atherosclerosis, obesity, chronic inflammation or exudative macular degeneration; 4-(Hydroxy-diphenyl-methyl)-piperidine-1-carboxylic acid 1-bromo-naphthalen-2-yl ester PTC THERAPEUTICS, INC. (US) 2012-03-27 US disclosed
US-8143257-B2 inhibiting angiogenesis; cancer, diabetic retinopathy, rheumatoid arthritis, psoriasis, atherosclerosis, obesity, chronic inflammation or exudative macular degeneration; 4-(Hydroxy-diphenyl-methyl)-piperidine-1-carboxylic acid 1-bromo-naphthalen-2-yl ester PTC THERAPEUTICS, INC. (US) 2012-03-27 US disclosed
US-8143257-B2 inhibiting angiogenesis; cancer, diabetic retinopathy, rheumatoid arthritis, psoriasis, atherosclerosis, obesity, chronic inflammation or exudative macular degeneration; 4-(Hydroxy-diphenyl-methyl)-piperidine-1-carboxylic acid 1-bromo-naphthalen-2-yl ester PTC THERAPEUTICS, INC. (US) 2012-03-27 US disclosed
US-20080261956-A1 Substituted Phenols as Active Agents Inhibiting Vegf Production PTC THERAPEUTICS, INC. 2008-10-23 US disclosed
US-20080261956-A1 Substituted Phenols as Active Agents Inhibiting Vegf Production PTC THERAPEUTICS, INC. 2008-10-23 US disclosed
US-20080261956-A1 Substituted Phenols as Active Agents Inhibiting Vegf Production PTC THERAPEUTICS, INC. 2008-10-23 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-20080261956-A1 Substituted Phenols as Active Agents Inhibiting Vegf Production VEGFA, FLT4, FLT1 NCEH1 3211/4885SMN1; SMN2 4842/4885ALDH1A1 936/4885

“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.