SCHEMBL6209404

SCHEMBL6209404

O=C(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.66
HTR2C P28335 1/20 0.66
HTR2B P41595 1/20 0.66
KMT2A Q03164 1/20 0.65
ALDH1A1 P00352 2/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
MAPT P10636 1/20 0.63
MAPK1 P28482 1/20 0.63
CYP2C19 P33261 1/20 0.63
CHRM2 P08172 5/20 0.62
CHRM3 P20309 5/20 0.62
SIGMAR1 Q99720 1/20 0.60
HPGD P15428 1/20 0.58
DUSP3 P51452 1/20 0.58
PTPN5 P54829 1/20 0.58
PTPN11 Q06124 1/20 0.58

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
SCHEMBL6344464 0.90 HTR2A (0.73) HTR2AHTR2CHTR2BKMT2A
SCHEMBL6154035 0.89 HTR2A (0.69) HTR2AHTR2CHTR2BKMT2A
SCHEMBL2366161 0.88 MGLL (0.67) HTR2AKMT2AALDH1A1MAPTCHRM2
SCHEMBL228242 0.86 HTR2A (0.76) HTR2AHTR2CHTR2BCYP3A4CYP2D6
SCHEMBL6154064 0.86 GAA (0.70) HTR2AHTR2CHTR2BKMT2A
SCHEMBL10963541 0.86 KCNH2 (0.73) HTR2AHTR2CHTR2BKMT2AALDH1A1
Hydrochloric Acid SCHEMBL1449208 0.83 LTA4H (0.61) HTR2AHTR2CHTR2BKMT2AALDH1A1
SCHEMBL5539621 0.83 SIGMAR1 (0.65) HTR2AHTR2CHTR2BMAPTCHRM2
SCHEMBL30516673 0.83 SLC18A3 (0.74) HTR2AHTR2CHTR2BKMT2ACHRM2
SCHEMBL4042398 0.83 HTR2A (0.62) HTR2AHTR2CHTR2BALDH1A1

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 HTR2A 823/4885HTR2C 766/4885HTR2B 490/4885

“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.