SCHEMBL2344723

SCHEMBL2344723

COc1ccc(CN2CCC3(CCN(CC4CN(C(=O)OC(C)(C)C)CC4c4ccccc4)CC3)C2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 8/20 0.46
USP7 Q93009 2/20 0.41
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
RORC P51449 1/20 0.40
TACR1 P25103 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
BACE1 P56817 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 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
SCHEMBL2343108 1.00 CCR5 (0.46) CCR5USP7OPRM1OPRL1RORC
SCHEMBL14371457 0.92 CCR5 (0.48) CCR5DRD2HTR2AHTR2CHTR2B
SCHEMBL2337381 0.92 CCR5 (0.48) CCR5DRD2HTR2AHTR2CHTR2B
SCHEMBL2341309 0.91 RORC (0.43) CCR5RORCTACR1HDAC1HDAC8
SCHEMBL2338998 0.91 RORC (0.43) CCR5RORCTACR1HDAC1HDAC8
Hydrochloric Acid SCHEMBL2337378 0.91 CCR5 (0.47) CCR5DRD2HTR2AHTR2CHTR2B
SCHEMBL2339660 0.90 CCR5 (0.47) CCR5DRD2HTR2AHTR2CHTR2B
SCHEMBL14371458 0.90 CCR5 (0.47) CCR5DRD2HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL2340365 0.90 CCR5 (0.46) CCR5DRD2HTR2AHTR2CHTR2B
SCHEMBL2335410 0.89 CCR5 (0.49) CCR5DRD2HTR2AHTR2CHTR2B

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
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
US-7288548-B2 Spiro compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA, INC. (CA) 2007-10-30 US 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

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 2/4885USP7 4457/4885OPRM1 110/4885

“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.