SCHEMBL8414743

SCHEMBL8414743

CN1CCN(C(=O)c2cccc(C3CCCC3)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.56
GAA P10253 1/20 0.53
TSHR P16473 2/20 0.52
HPGD P15428 2/20 0.52
MGLL Q99685 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
DRD3 P35462 1/20 0.49
L3MBTL3 Q96JM7 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.48
TP53 P04637 1/20 0.48
MYC P01106 1/20 0.47
SLC6A7 Q99884 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 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
SCHEMBL10723960 0.82 HPGD (0.68) GAATSHRHPGDMEN1KMT2A
SCHEMBL8220141 0.81 MBTD1 (0.49) GAATSHRHPGDMEN1KMT2A
SCHEMBL8219836 0.78 GAA (0.46) GAATSHRHPGDMEN1KMT2A
SCHEMBL2743296 0.77 DRD3 (0.60) KMOKMT2ADRD3L3MBTL1ALDH1A1
SCHEMBL10078311 0.77 KMO (0.67) KMOMEN1KMT2ADRD3MYC
SCHEMBL8275151 0.76 GAA (0.47) GAATSHRHPGDMEN1KMT2A
SCHEMBL8360507 0.76 HPGD (0.73) GAATSHRHPGDMEN1KMT2A
SCHEMBL7363942 0.76 HPGD (0.65) GAATSHRHPGDMGLLMEN1
SCHEMBL4260025 0.76 HPGD (0.60) GAATSHRHPGDMEN1KMT2A
SCHEMBL19862476 0.76 KMO (0.70) KMOMEN1KMT2ADRD3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 US 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-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF KMO 1942/4885GAA 67/4885TSHR 3764/4885

“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.