SCHEMBL2337772

SCHEMBL2337772

COc1ccc(CN2CCC3(CCN(CC4CNCC4c4ccccc4)CC3)C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.47
SIGMAR1 Q99720 7/20 0.44
DRD2 P14416 3/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
OPRL1 P41146 2/20 0.43
DRD4 P21917 2/20 0.42
GAA P10253 1/20 0.40
GSK3B P49841 1/20 0.40
CXCR3 P49682 1/20 0.39
OPRM1 P35372 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM3 P20309 1/20 0.38
KDM1A O60341 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL2339523 1.00 CCR5 (0.47) CCR5SIGMAR1DRD2HTR2AHTR2C
Hydrochloric Acid SCHEMBL5408613 0.99 CCR5 (0.46) CCR5SIGMAR1DRD2HTR2AHTR2C
SCHEMBL2337060 0.88 CCR5 (0.49) CCR5CXCR3MEN1KMT2A
SCHEMBL2341425 0.88 CCR5 (0.49) CCR5CXCR3MEN1KMT2A
SCHEMBL2342440 0.88 CCR5 (0.49) CCR5CXCR3MEN1KMT2A
SCHEMBL2343279 0.86 CCR5 (0.46) CCR5DRD2OPRL1OPRM1KDM1A
SCHEMBL2338064 0.86 CCR5 (0.46) CCR5DRD2OPRL1OPRM1KDM1A
SCHEMBL2338068 0.86 CCR5 (0.46) CCR5DRD2OPRL1OPRM1KDM1A
SCHEMBL2339259 0.85 SIGMAR1 (0.44) CCR5SIGMAR1DRD2HTR2AHTR2C
SCHEMBL3391678 0.85 CCR5 (0.47) CCR5SIGMAR1DRD2HTR2AHTR2C

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
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
EP-1786815-B1 SPIRO COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY VIROCHEM PHARMA INC (CA) 2011-08-24 EP disclosed
EP-1786815-A4 SPIRO COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY VIROCHEM PHARMA INC (CA) 2009-03-18 EP disclosed
US-7288548-B2 Spiro compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA, INC. (CA) 2007-10-30 US disclosed
EP-1786815-A1 SPIRO COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY Virochem Pharma Inc. (CA) 2007-05-23 EP disclosed
US-20050070563-A1 Spiro compounds and methods for the modulation of chemokine receptor activity VIRO CHEM PHARMA, INC. (CA) 2005-03-31 US disclosed
WO-2005023809-A1 SPIRO COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY VIROCHEM PHARMA INC. (CA) 2005-03-17 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-20050070563-A1 Spiro compounds and methods for the modulation of chemokine receptor activity CXCR1, CCR5, CXCR2 CCR5 2/4885SIGMAR1 225/4885DRD2 1452/4885

“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.