SCHEMBL6239124

SCHEMBL6239124

O=[C]CCc1cc2c(cc1Br)OCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
HSP90AA1 P07900 7/20 0.37
HSP90B1 P14625 5/20 0.37
TRAP1 Q12931 5/20 0.37
DPP4 P27487 1/20 0.35
KCNH2 Q12809 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
ALDH1A1 P00352 2/20 0.34
IGF1R P08069 1/20 0.34
HPGD P15428 1/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
ERBB2 P04626 1/20 0.33

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
SCHEMBL6987564 0.82 CYP3A4 (0.41) CYP3A4CYP1A2CYP2D6CYP2C19MEN1
SCHEMBL17980277 0.76 CYP3A4 (0.48) CYP3A4CYP1A2CYP2D6CYP2C19MEN1
SCHEMBL30360689 0.76 CYP3A4 (0.48) CYP3A4CYP1A2CYP2D6CYP2C19MEN1
SCHEMBL6239134 0.75 CYP1A2 (0.44) CYP3A4CYP1A2CYP2D6CYP2C19MEN1
SCHEMBL8433655 0.75 CYP1A2 (0.43) CYP3A4CYP1A2CYP2D6CYP2C19MEN1
SCHEMBL28346620 0.73 TAAR1 (0.44) CYP3A4CYP1A2CYP2D6CYP2C19MEN1
SCHEMBL1520657 0.72 CYP3A4 (0.44) CYP3A4CYP1A2CYP2D6CYP2C19MEN1
SCHEMBL11053658 0.71 TAAR1 (0.61) CYP3A4CYP1A2CYP2C19ALDH1A1MAPT
SCHEMBL11182069 0.71 CYP3A4 (0.43) CYP3A4CYP1A2CYP2D6CYP2C19MEN1
SCHEMBL281746 0.71 CYP3A4 (0.46) CYP3A4CYP1A2CYP2D6CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors ASTRAZENECA AB (SE) 2005-11-17 US disclosed
EP-1556349-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS Astrazeneca AB (SE) 2005-07-27 EP disclosed
WO-2004033427-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS ASTRAZENECA AB (SE) 2004-04-22 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-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors HSD11B1, HSD3B1, P4HA1 CYP3A4 241/4885CYP1A2 53/4885CYP2D6 264/4885

“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.