SCHEMBL829483

SCHEMBL829483

CN(C(=O)Oc1ccc2ccccc2c1Br)C1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 16/20 0.66
RAB9A P51151 3/20 0.58
NPC1 O15118 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MAPT P10636 1/20 0.58
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
HPGD P15428 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTT P42858 1/20 0.54
OPRK1 P41145 1/20 0.48
LMNA P02545 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL829420 0.86 NCEH1 (0.67) NCEH1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL830202 0.80 NCEH1 (1.00) NCEH1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL27861350 0.77 ACHE (0.46) RAB9ANPC1SMN1; SMN2MAPTHPGD
SCHEMBL829484 0.75 NCEH1 (0.62) NCEH1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL829227 0.74 SMN1; SMN2 (1.00) NCEH1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL4190695 0.73 ABCC1 (0.60) NPC1SMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL27547560 0.72 NCEH1 (0.69) NCEH1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL829284 0.71 NCEH1 (0.65) NCEH1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL9658102 0.71 ATM (0.43) RAB9ANPC1SMN1; SMN2MAPTCYP1A2
SCHEMBL19439381 0.71 NCEH1 (0.67) NCEH1RAB9ANPC1SMN1; SMN2MAPT

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 2 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-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 3211/4885RAB9A 3160/4885NPC1 3721/4885

“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.