SCHEMBL6239134

SCHEMBL6239134

O=CCCc1cc2c(cc1Br)OCO2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
IGF1R P08069 1/20 0.37
HSP90AA1 P07900 6/20 0.36
HSP90B1 P14625 5/20 0.36
TRAP1 Q12931 5/20 0.36
PKM P14618 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 3/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL27569815 0.81 CYP1A2 (0.43) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL24890641 0.79 CRHBP (0.38) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL17980277 0.76 CYP3A4 (0.48) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL30360689 0.76 CYP3A4 (0.48) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL25907658 0.76 TAAR1 (0.52) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL6239124 0.75 CYP3A4 (0.41) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL8433655 0.75 CYP1A2 (0.43) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL15264825 0.73 MEN1 (0.53) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL28346620 0.73 TAAR1 (0.44) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL1520657 0.72 CYP3A4 (0.44) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1723199-A 1,4-disubstituted piperidine derivatives and their use as 11-beta hsd1 inhibitors ASTRAZENECA AB (SE) 2006-01-18 CN disclosed
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 CYP1A2 53/4885CYP3A4 241/4885CYP2D6 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.