SCHEMBL2338844

SCHEMBL2338844

CCC(CC)C(=O)N1CC(CN2CCC3(CC2)CCN(Cc2ccc(OC)cc2)C3=O)C(c2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 16/20 0.56
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 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
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
SCHEMBL14371184 1.00 CCR5 (0.56) CCR5MEN1POLBKMT2ADRD2
Hydrochloric Acid SCHEMBL2342013 0.99 CCR5 (0.56) CCR5MEN1POLBKMT2ADRD2
SCHEMBL2334399 0.93 CCR5 (0.47) CCR5MEN1POLBKMT2ADRD2
SCHEMBL2340445 0.93 CCR5 (0.47) CCR5MEN1POLBKMT2ADRD2
Hydrochloric Acid SCHEMBL2336919 0.92 CCR5 (0.47) CCR5MEN1POLBKMT2ADRD2
Hydrochloric Acid SCHEMBL2336914 0.92 CCR5 (0.47) CCR5MEN1POLBKMT2ADRD2
SCHEMBL14371135 0.90 CCR5 (0.58) CCR5
SCHEMBL2339242 0.90 CCR5 (0.58) CCR5
Hydrochloric Acid SCHEMBL2338190 0.90 CCR5 (0.57) CCR5
SCHEMBL2334913 0.90 CCR5 (0.47) CCR5MEN1POLBKMT2ADRD2

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 CCR5 2/4885MEN1 4194/4885POLB 3577/4885

“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.