SCHEMBL830954

SCHEMBL830954

O=C(Oc1ccccc1Br)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
MAPK14 Q16539 1/20 0.56
MGLL Q99685 1/20 0.56
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
FAAH O00519 1/20 0.52
ALDH1A1 P00352 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
APOBEC3A P31941 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
RAB9A P51151 1/20 0.51
POLB P06746 1/20 0.51
TACR3 P29371 1/20 0.50
ATM Q13315 1/20 0.50

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
SCHEMBL829584 0.86 FAAH (0.53) CYP2C9CYP2C19MAPK14MGLLMEN1
SCHEMBL20627357 0.83 AKR1C3 (0.44) ALDH1A1
SCHEMBL829938 0.81 NCEH1 (0.67) CYP2C9CYP2C19MAPK14MGLLMEN1
SCHEMBL829875 0.80 CYP2C9 (0.60) CYP2C9CYP2C19MAPK14MGLLMEN1
SCHEMBL829640 0.80 GAA (0.64) CYP2C9CYP2C19MEN1KMT2AALDH1A1
SCHEMBL7238040 0.77 CYP2C9 (0.71) CYP2C9CYP2C19MAPK14MEN1KMT2A
SCHEMBL20627058 0.77 SMN1; SMN2 (0.54) CYP2C9CYP2C19ALDH1A1RAB9A
SCHEMBL829466 0.77 SMN1; SMN2 (0.65) CYP2C9CYP2C19MEN1KMT2AALDH1A1
SCHEMBL23064553 0.77 TP53 (0.45) CYP2C9CYP2C19MEN1KMT2AALDH1A1
SCHEMBL829196 0.76 SMN1; SMN2 (0.63) CYP2C9CYP2C19MEN1KMT2AALDH1A1

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 CYP2C9 2246/4885CYP2C19 2205/4885MAPK14 2480/4885

“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.