SCHEMBL6410658

SCHEMBL6410658

COc1ccc(CN2CCC3(CCN(CCC(C(=O)Nc4ccccc4)c4ccccc4)CC3)C2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.46
LMNA P02545 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
KLK7 P49862 5/20 0.42
CCR5 P51681 2/20 0.42
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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 SCHEMBL6408993 0.99 FAAH (0.46) FAAHLMNANPC1RAB9AALDH1A1
SCHEMBL6411965 0.90 CCR5 (0.42) LMNAALDH1A1CCR5OPRM1
SCHEMBL6410575 0.90 ALDH1A1 (0.48) FAAHLMNAALDH1A1CCR5KMT2A
SCHEMBL6411240 0.89 ALDH1A1 (0.45) LMNAALDH1A1CCR5KMT2A
Hydrochloric Acid SCHEMBL6414721 0.89 ALDH1A1 (0.47) FAAHLMNAALDH1A1CCR5KMT2A
Hydrochloric Acid SCHEMBL6408463 0.89 CCR5 (0.41) LMNAALDH1A1CCR5OPRM1
SCHEMBL6408956 0.89 FAAH (0.44) FAAHLMNACCR5KMT2A
SCHEMBL6412966 0.88 CCR8 (0.51) CCR5KMT2A
SCHEMBL6416242 0.88 CCR5 (0.46) FAAHLMNANPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL6415274 0.88 FAAH (0.43) FAAHLMNACCR5KMT2A

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 FAAH 2623/4885LMNA 3107/4885NPC1 401/4885

“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.