SCHEMBL4514939

SCHEMBL4514939

CNC(=O)Cn1c(-c2ccccc2)c(CN2CCC(c3c(Cl)cccc3Cl)CC2)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 13/20 0.45
OPRM1 P35372 7/20 0.45
SIGMAR1 Q99720 1/20 0.41
OPRK1 P41145 1/20 0.40
HTR2A P28223 1/20 0.39
S1PR2 O95136 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 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
SCHEMBL4521637 0.89 AVPR1B (0.42) OPRL1OPRM1SIGMAR1OPRK1HTR2A
SCHEMBL4530222 0.88 OPRL1 (0.44) OPRL1OPRM1SIGMAR1OPRK1
SCHEMBL4518923 0.88 SIGMAR1 (0.48) SIGMAR1
SCHEMBL4505447 0.88 HTR2A (0.41) OPRL1OPRM1SIGMAR1OPRK1HTR2A
SCHEMBL4520660 0.88 TSHR (0.49) SIGMAR1
Trifluoroacetic Acid SCHEMBL4510433 0.86 AVPR1A (0.41) OPRL1OPRM1OPRK1TLR9TLR8
Hydrochloric Acid SCHEMBL4518399 0.86 POLB (0.47) OPRL1OPRM1OPRK1TLR9TLR8
SCHEMBL4520043 0.86 S1PR5 (0.38) OPRL1OPRM1SIGMAR1OPRK1HTR2A
SCHEMBL4520337 0.86 ATM (0.47) OPRL1OPRM1OPRK1
SCHEMBL4505706 0.85 S1PR5 (0.39) OPRL1OPRM1SIGMAR1OPRK1HTR2A

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 OPRL1 2/4885OPRM1 10/4885SIGMAR1 20/4885

“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.