SCHEMBL4512751

SCHEMBL4512751

Cc1cccc(C)c1C1CCN(Cc2c(C(=O)N3CCCN(C)CC3)n(CC(N)=O)c3ccccc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EED O75530 2/20 0.41
PARP1 P09874 3/20 0.38
CNR1 P21554 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
CHKA P35790 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
CNR2 P34972 2/20 0.35
GRIN2B Q13224 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
UBE2N P61088 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35

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
Hydrochloric Acid SCHEMBL4518541 0.86 CNR2 (0.43) CNR1KMT2AMEN1CNR2KDM4E
Hydrochloric Acid SCHEMBL4519784 0.85 L3MBTL3 (0.41) KMT2AMEN1OPRM1OPRL1
Hydrochloric Acid SCHEMBL4525805 0.82 MEN1 (0.37) KMT2AMEN1CNR2OPRM1OPRL1
SCHEMBL4780568 0.79 KDM4E (0.42) KMT2AMEN1TDP1KDM4EALDH1A1
SCHEMBL4514740 0.78 HTR2A (0.39) KMT2AMEN1OPRM1OPRL1UBE2N
SCHEMBL4708952 0.78 CNR2 (0.41) CNR1KMT2AMEN1CNR2KDM4E
Hydrochloric Acid SCHEMBL4516676 0.77 CNR2 (0.42) CNR1KMT2AMEN1CNR2KDM4E
SCHEMBL4706868 0.74 CYP2A13 (0.43) CNR1KMT2AMEN1CNR2TDP1
SCHEMBL4529531 0.74 KDM4E (0.45) HRH4KMT2AMEN1KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL4527558 0.74 HRH4 (0.42) EEDPARP1HRH4KMT2AMEN1

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-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
EP-1841755-A1 SUBSTITUTED INDOLE LIGANDS FOR THE ORL-1 RECEPTOR BRANE DISCOVERY S.R.L. (IT) 2007-10-10 EP 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 (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-20090275555-A1 Substituted indole ligands for the ORL-1 receptor OGFRL1, OPRL1, ORMDL3 EED 4763/4885PARP1 4249/4885CNR1 18/4885

“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.