SCHEMBL5089055

SCHEMBL5089055

O=C(N1CCCC1)C1(c2ccc(Cl)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.58
VCAM1 P19320 2/20 0.48
NPBWR1 P48145 1/20 0.47
MCHR1 Q99705 1/20 0.47
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPY1R P25929 1/20 0.46
MC4R P32245 1/20 0.46
NPY2R P49146 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL7412123 0.81 HSD11B1 (0.48) HSD11B1MAPTMAPK1RAB9AMEN1
SCHEMBL5089045 0.81 VCAM1 (0.51) VCAM1MAPTMAPK1L3MBTL1MEN1
SCHEMBL5093243 0.79 HSD11B1 (0.64) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL7424106 0.77 VCAM1 (0.48) VCAM1NPBWR1MCHR1MAPTMAPK1
SCHEMBL7419998 0.77 VCAM1 (0.44) VCAM1NPBWR1MCHR1MAPTMC4R
SCHEMBL348724 0.74 HSD11B1 (1.00) HSD11B1MEN1KMT2AALDH1A1
SCHEMBL5754852 0.73 L3MBTL1 (0.69) VCAM1NPBWR1MCHR1MAPTL3MBTL1
SCHEMBL13235084 0.71 MEN1 (0.66) MAPTRAB9AL3MBTL1NPY1RMC4R
SCHEMBL8026509 0.71 MAPT (0.51) VCAM1MAPTMAPK1RAB9AMEN1
SCHEMBL7366250 0.70 VCAM1 (0.48) VCAM1NPBWR1MCHR1MAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425641-B2 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2008-09-16 US disclosed
US-20050065346-A1 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-03-24 US disclosed
EP-1206446-B1 CARBOXYLIC ACID AMIDES, THEIR PRODUCTION AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM PHARMA (DE) 2004-05-26 EP disclosed
EP-1206446-A1 CARBOXYLIC ACID AMIDES, THEIR PRODUCTION AND THEIR USE AS DRUGS Boehringer Ingelheim Pharma KG (DE) 2002-05-22 EP disclosed
WO-2001010823-A1 CARBOXYLIC ACID AMIDES, THEIR PRODUCTION AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-02-15 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-20050065346-A1 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions F12, F11, F2 HSD11B1 1366/4885VCAM1 1726/4885NPBWR1 3183/4885

“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.