SCHEMBL6408950

SCHEMBL6408950

COc1ccc(CN2CCC3(CCN(CCC(NC(=O)Cc4ccccc4OC)c4ccccc4)CC3)C2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.49
SIGMAR1 Q99720 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 1/20 0.41
USP2 O75604 1/20 0.41
CYP2D6 P10635 1/20 0.41
TACR1 P25103 1/20 0.41
HTR1A P08908 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRL1 P41146 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 SCHEMBL6408877 0.99 CCR5 (0.48) CCR5SIGMAR1MEN1KMT2AL3MBTL1
SCHEMBL6410251 0.94 SIGMAR1 (0.43) CCR5SIGMAR1MEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL6409468 0.93 SIGMAR1 (0.42) CCR5SIGMAR1MEN1KMT2ATSHR
SCHEMBL6413008 0.93 CCR5 (0.56) CCR5SIGMAR1MEN1KMT2ACYP2D6
SCHEMBL6412957 0.92 CCR5 (0.51) CCR5SIGMAR1MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL6409470 0.92 CCR5 (0.55) CCR5SIGMAR1MEN1KMT2ACYP2D6
SCHEMBL6410264 0.92 CCR5 (0.55) CCR5SIGMAR1MEN1KMT2ACYP2D6
SCHEMBL6414876 0.92 CCR2 (0.42) CCR5SIGMAR1TSHRCYP2D6TACR1
Hydrochloric Acid SCHEMBL6413408 0.91 CCR5 (0.50) CCR5SIGMAR1MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL6409167 0.91 CCR5 (0.55) CCR5SIGMAR1MEN1KMT2ACYP2D6

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 4/4885SIGMAR1 277/4885MEN1 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.