SCHEMBL6414737

SCHEMBL6414737

CCOC(=O)NC(CCN1CCC2(CC1)CCN(Cc1ccc(OC)cc1)C2=O)c1ccc(OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
GLA P06280 1/20 0.39
MMP1 P03956 3/20 0.39
MMP13 P45452 3/20 0.39
MAPK1 P28482 1/20 0.38
ALOX15 P16050 1/20 0.38
CACNA1G O43497 1/20 0.38
UTS2R Q9UKP6 2/20 0.38
MMP9 P14780 2/20 0.37
ADAM17 P78536 2/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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 SCHEMBL6414732 0.99 CCR5 (0.40) CCR5KMT2AALDH1A1MEN1L3MBTL1
SCHEMBL6415469 0.97 UTS2R (0.42) CCR5KMT2AALDH1A1MEN1L3MBTL1
Hydrochloric Acid SCHEMBL6415463 0.96 UTS2R (0.42) CCR5KMT2AALDH1A1MEN1L3MBTL1
SCHEMBL6408397 0.96 MMP13 (0.42) CCR5KMT2AALDH1A1MEN1L3MBTL1
Hydrochloric Acid SCHEMBL6408394 0.95 MMP1 (0.41) CCR5KMT2AALDH1A1MEN1L3MBTL1
SCHEMBL6412239 0.94 CCR5 (0.45) CCR5MMP1MMP13MMP9ADAM17
SCHEMBL6411551 0.93 ROCK2 (0.44) CCR5KMT2AALDH1A1MEN1L3MBTL1
Hydrochloric Acid SCHEMBL6412237 0.93 CCR5 (0.45) CCR5MMP1MMP13MMP9ADAM17
SCHEMBL6410848 0.93 CCR5 (0.43) CCR5ALDH1A1MMP1MMP13MAPK1
SCHEMBL6408826 0.93 MEN1 (0.43) CCR5KMT2AALDH1A1MEN1L3MBTL1

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 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-20050075326-A1 Spiro compounds and methods for the modulation of chemokine receptor activity CXCR1, CXCR4, CXCR2 CCR5 4/4885KMT2A 4587/4885ALDH1A1 869/4885

“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.