SCHEMBL2339263

SCHEMBL2339263

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 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
DRD4 P21917 2/20 0.42
CCR5 P51681 5/20 0.41
OPRL1 P41146 2/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.38
CCR3 P51677 1/20 0.38
OPRM1 P35372 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
SCHEMBL14371418 1.00 SIGMAR1 (0.44) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL2339259 1.00 SIGMAR1 (0.44) SIGMAR1DRD2HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL2340925 0.99 SIGMAR1 (0.46) SIGMAR1DRD2HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL2340927 0.99 SIGMAR1 (0.46) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL14371420 0.89 CCR5 (0.46) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL2342908 0.89 CCR5 (0.46) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL2341341 0.89 CCR5 (0.46) SIGMAR1DRD2HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL2337294 0.88 CCR5 (0.45) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL2338555 0.88 OPRL1 (0.47) SIGMAR1DRD2HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL2337298 0.88 CCR5 (0.45) SIGMAR1DRD2HTR2AHTR2CHTR2B

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 SIGMAR1 225/4885DRD2 1452/4885HTR2A 786/4885

“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.