SCHEMBL2335931

SCHEMBL2335931

COc1ccc(CN2CCC3(CCN(C[C@H]4CN(CC5CCOCC5)C[C@@H]4c4ccccc4)CC3)C2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.46
OPRM1 P35372 3/20 0.46
CCR5 P51681 13/20 0.43
KCNH2 Q12809 1/20 0.40
MCHR1 Q99705 1/20 0.40
DRD2 P14416 2/20 0.40
DRD4 P21917 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL14371443 1.00 OPRL1 (0.46) OPRL1OPRM1CCR5KCNH2MCHR1
Hydrochloric Acid SCHEMBL2339395 0.99 OPRL1 (0.46) OPRL1OPRM1CCR5KCNH2MCHR1
SCHEMBL2338555 0.94 OPRL1 (0.47) OPRL1OPRM1CCR5DRD2HTR2A
SCHEMBL14371426 0.94 OPRL1 (0.47) OPRL1OPRM1CCR5DRD2HTR2A
SCHEMBL2338553 0.94 OPRL1 (0.47) OPRL1OPRM1CCR5DRD2HTR2A
Hydrochloric Acid SCHEMBL2342005 0.93 OPRL1 (0.47) OPRL1OPRM1CCR5DRD2HTR2A
Hydrochloric Acid SCHEMBL2342001 0.93 OPRL1 (0.47) OPRL1OPRM1CCR5DRD2HTR2A
SCHEMBL12447693 0.90 OPRL1 (0.44) OPRL1OPRM1CCR5DRD2HTR2A
SCHEMBL2337903 0.90 OPRL1 (0.44) OPRL1OPRM1CCR5DRD2HTR2A
SCHEMBL2337906 0.90 OPRL1 (0.44) OPRL1OPRM1CCR5DRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786815-B1 SPIRO COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY VIROCHEM PHARMA INC (CA) 2011-08-24 EP claimed
US-7288548-B2 Spiro compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA, INC. (CA) 2007-10-30 US claimed
US-20050070563-A1 Spiro compounds and methods for the modulation of chemokine receptor activity VIRO CHEM PHARMA, INC. (CA) 2005-03-31 US claimed

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-20050070563-A1 Spiro compounds and methods for the modulation of chemokine receptor activity CXCR1, CCR5, CXCR2 OPRL1 100/4885OPRM1 110/4885CCR5 2/4885

“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.