SCHEMBL6414955

SCHEMBL6414955

COc1ccc(CN2CCC3(CCN(CCC(NC(=O)CC4CCCC4)c4ccccc4)CC3)C2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 9/20 0.51
OPRL1 P41146 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
KCNH2 Q12809 1/20 0.39

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
Hydrochloric Acid SCHEMBL6409247 0.99 CCR5 (0.51) CCR5OPRL1MEN1KMT2ASLC6A4
SCHEMBL6410269 0.99 CCR5 (0.51) CCR5OPRL1MEN1KMT2ASLC6A4
Hydrochloric Acid SCHEMBL5252103 0.98 CCR5 (0.50) CCR5OPRL1MEN1KMT2ASLC6A4
SCHEMBL6408887 0.97 CCR5 (0.51) CCR5MEN1KMT2ASLC6A4SLC6A3
Hydrochloric Acid SCHEMBL6416381 0.96 CCR5 (0.50) CCR5MEN1KMT2ASLC6A4SLC6A3
Hydrochloric Acid SCHEMBL6408844 0.96 CCR5 (0.50) CCR5MEN1KMT2ASLC6A4SLC6A3
SCHEMBL6409448 0.90 SLC6A4 (0.42) CCR5KMT2ASLC6A4SLC6A3SIGMAR1
SCHEMBL6413008 0.89 CCR5 (0.56) CCR5MEN1KMT2ASIGMAR1KCNH2
Hydrochloric Acid SCHEMBL6414819 0.89 SLC6A4 (0.41) CCR5KMT2ASLC6A4SLC6A3SIGMAR1
SCHEMBL6416644 0.89 SLC6A4 (0.41) CCR5SLC6A4SLC6A3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075326-A1 Spiro compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA INC (CA) 2005-04-07 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-20050075326-A1 Spiro compounds and methods for the modulation of chemokine receptor activity CXCR1, CXCR4, CXCR2 CCR5 4/4885OPRL1 151/4885MEN1 4007/4885

“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.