SCHEMBL4520043

SCHEMBL4520043

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 2/20 0.38
OPRL1 P41146 3/20 0.37
OPRM1 P35372 2/20 0.37
OPRK1 P41145 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTR2A P28223 1/20 0.35
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34

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 SCHEMBL4518399 0.86 POLB (0.47) OPRL1OPRM1OPRK1POLBKDM4E
SCHEMBL4514939 0.86 OPRL1 (0.45) OPRL1OPRM1OPRK1SIGMAR1HTR2A
SCHEMBL4520337 0.86 ATM (0.47) OPRL1OPRM1OPRK1POLBKDM4E
SCHEMBL4521637 0.85 AVPR1B (0.42) OPRL1OPRM1OPRK1SIGMAR1HTR2A
SCHEMBL4530222 0.85 OPRL1 (0.44) OPRL1OPRM1OPRK1SIGMAR1POLB
SCHEMBL4505706 0.83 S1PR5 (0.39) S1PR5OPRL1OPRM1OPRK1SIGMAR1
Trifluoroacetic Acid SCHEMBL4510433 0.82 AVPR1A (0.41) OPRL1OPRM1OPRK1
SCHEMBL4518923 0.81 SIGMAR1 (0.48) SIGMAR1POLBTDP1
SCHEMBL4505447 0.81 HTR2A (0.41) S1PR5OPRL1OPRM1OPRK1SIGMAR1
SCHEMBL4520660 0.81 TSHR (0.49) SIGMAR1POLBKDM4E

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 S1PR5 678/4885OPRL1 2/4885OPRM1 10/4885

“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.