SCHEMBL5453369

SCHEMBL5453369

O=C(c1ccccc1)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.70
POLB P06746 1/20 0.70
MAPT P10636 7/20 0.64
ALDH1A1 P00352 5/20 0.64
NPY2R P49146 1/20 0.64
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
ATM Q13315 1/20 0.62
LMNA P02545 1/20 0.56
ALOX12 P18054 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MAPK1 P28482 1/20 0.55
NPBWR1 P48145 1/20 0.55
MCHR1 Q99705 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
HPGD P15428 1/20 0.54
HTR2A P28223 1/20 0.53
SLC18A3 Q16572 1/20 0.49
HSD11B1 P28845 1/20 0.47

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
SCHEMBL6211321 0.88 MAPT (0.74) L3MBTL1POLBMAPTALDH1A1NPY2R
SCHEMBL6209707 0.88 POLB (0.74) L3MBTL1POLBMAPTALDH1A1NPY2R
SCHEMBL3540028 0.86 L3MBTL1 (0.70) L3MBTL1POLBMAPTALDH1A1NPY2R
SCHEMBL3540036 0.86 L3MBTL1 (0.70) L3MBTL1POLBMAPTALDH1A1NPY2R
SCHEMBL12639913 0.83 L3MBTL1 (0.72) L3MBTL1POLBMAPTALDH1A1NPY2R
SCHEMBL594097 0.83 L3MBTL1 (0.69) L3MBTL1POLBMAPTALDH1A1NPY2R
SCHEMBL5459880 0.80 ALDH1A1 (0.48) L3MBTL1POLBMAPTALDH1A1MEN1
SCHEMBL852804 0.79 MAPT (0.74) L3MBTL1POLBMAPTALDH1A1NPY2R
SCHEMBL3542851 0.78 MAPT (0.64) L3MBTL1POLBMAPTALDH1A1NPY2R
SCHEMBL3542849 0.78 MAPT (0.64) L3MBTL1POLBMAPTALDH1A1NPY2R

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-20070249620-A1 Urea Derivative SANKYO COMPANY, LIMITED (JP) 2007-10-25 US disclosed
EP-1764360-A1 UREA DERIVATIVE Sankyo Company, Limited (JP) 2007-03-21 EP disclosed
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 (2 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-20070249620-A1 Urea Derivative UGP2, SLC14A1, DGAT1 L3MBTL1 1287/4885POLB 4280/4885MAPT 758/4885
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors HSD11B1, HSD3B1, P4HA1 L3MBTL1 3461/4885POLB 1926/4885MAPT 4536/4885

“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.