SCHEMBL4522972

SCHEMBL4522972

CC(=O)N1CCC(NC(=O)Cn2c(-c3ccccc3)c(CN3CCC(c4c(C)cccc4C)CC3)c3ccccc32)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UBE2N P61088 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
DRD4 P21917 1/20 0.40
SIGMAR1 Q99720 4/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
AVPR1B P47901 1/20 0.38

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
SCHEMBL4518521 0.90 UBE2N (0.45) UBE2NTDP1KMT2AKDM4EALDH1A1
SCHEMBL4521541 0.89 KDM4E (0.45) UBE2NTDP1KMT2AKDM4EALDH1A1
SCHEMBL4514150 0.89 UBE2N (0.44) UBE2NTDP1KMT2AKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL4505995 0.87 UBE2N (0.45) UBE2NTDP1KMT2AKDM4EALDH1A1
SCHEMBL4529448 0.86 UBE2N (0.42) UBE2NTDP1KMT2AKDM4EALDH1A1
SCHEMBL4519785 0.85 UBE2N (0.43) UBE2NTDP1KMT2AKDM4EALDH1A1
SCHEMBL4518923 0.83 SIGMAR1 (0.48) UBE2NTDP1KMT2AALDH1A1LMNA
SCHEMBL4514740 0.82 HTR2A (0.39) UBE2NTDP1KMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL4516561 0.81 TSHR (0.47) KMT2AKDM4EALDH1A1LMNAPOLB
SCHEMBL4520660 0.81 TSHR (0.49) KDM4EALDH1A1POLBDRD4SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor BRANE DISCOVERY S.R.L. (IT) 2009-11-05 US claimed
EP-1841755-A1 SUBSTITUTED INDOLE LIGANDS FOR THE ORL-1 RECEPTOR BRANE DISCOVERY S.R.L. (IT) 2007-10-10 EP claimed
WO-2006070001-A1 SUBSTITUTED INDOLE LIGANDS FOR THE ORL-1 RECEPTOR BRANE DISCOVERY S.R.L. (IT) 2006-07-06 WO claimed
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor BRANE DISCOVERY S.R.L. (IT) 2009-11-05 US disclosed
US-20090099187-A1 Novel 8-Sulfonyl-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5HT6 Receptor ASTRAZENECA AB (SE) 2009-04-16 US disclosed
EP-1888518-A1 NOVEL 8-SULFONYL-3 AMINOSUBSTITUTED CHROMAN OR TETRAHYDRONAPHTALENE DERIVATIVES MODULATING THE 5HT6 RECEPTOR AstraZeneca AB (SE) 2008-02-20 EP disclosed
EP-1841755-A1 SUBSTITUTED INDOLE LIGANDS FOR THE ORL-1 RECEPTOR BRANE DISCOVERY S.R.L. (IT) 2007-10-10 EP disclosed
WO-2006126938-A1 NOVEL 8-SULFONYL-3 AMINOSUBSTITUTED CHROMAN OR TETRAHYDRONAPHTALENE DERIVATIVES MODULATING THE 5HT6 RECEPTOR ASTRAZENECA AB (SE) 2006-11-30 WO disclosed
WO-2006070001-A1 SUBSTITUTED INDOLE LIGANDS FOR THE ORL-1 RECEPTOR BRANE DISCOVERY S.R.L. (IT) 2006-07-06 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-20090275555-A1 Substituted indole ligands for the ORL-1 receptor OGFRL1, OPRL1, ORMDL3 UBE2N 2883/4885TDP1 2258/4885KMT2A 3625/4885
US-20090099187-A1 Novel 8-Sulfonyl-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5HT6 Receptor HTR6, HTR1D, HTR1A UBE2N 2866/4885TDP1 1913/4885KMT2A 2712/4885

“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.