SCHEMBL4148074

SCHEMBL4148074

N#Cc1ccc2c(c1)CN(c1cccc(C(=O)O)c1)C2=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.61
CYP11B2 P19099 1/20 0.61
LRRK2 Q5S007 1/20 0.48
AKR1C3 P42330 2/20 0.47
AKR1C1 Q04828 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NR1H4 Q96RI1 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 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
SCHEMBL4083776 0.86 ALDH1A1 (0.54) CYP11B1CYP11B2ALDH1A1HPGDCYP1A2
SCHEMBL18398538 0.85 CYP11B2 (0.72) CYP11B1CYP11B2LRRK2CYP3A4CYP2D6
SCHEMBL1180940 0.83 NR1H4 (0.51) CYP11B1CYP11B2AKR1C3ALDH1A1HPGD
SCHEMBL13913075 0.81 CYP11B1 (0.65) CYP11B1CYP11B2LRRK2ALDH1A1MEN1
SCHEMBL30107672 0.81 NPC1 (0.67) CYP11B2ALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL28651978 0.81 NPC1 (0.67) CYP11B2ALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL10086431 0.74 NPC1 (0.65) CYP11B1CYP11B2LRRK2CYP3A4CYP2D6
SCHEMBL1179680 0.71 ALDH1A1 (0.54) CYP11B1CYP11B2AKR1C3ALDH1A1HPGD
SCHEMBL30107673 0.70 NPC1 (0.62) CYP11B2ALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL4716148 0.70 BDKRB1 (0.57) AKR1C3AKR1C1ALDH1A1HPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082368-A1 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PAINCEPTOR PHARMA CORPORATION (CA) 2009-03-26 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-20090082368-A1 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY NGF, BDNF, NTRK2 CYP11B1 3643/4885CYP11B2 3562/4885LRRK2 2294/4885

“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.