SCHEMBL6408359

SCHEMBL6408359

COc1ccc(CN2CCC3(CCN(CCC(NC(=O)OC(C)(C)C)c4ccc(OC)cc4)CC3)C2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.41
CCR5 P51681 2/20 0.40
MAPK1 P28482 1/20 0.39
ALOX15 P16050 1/20 0.39
MMP1 P03956 2/20 0.38
MMP13 P45452 2/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
DRD2 P14416 2/20 0.36
UTS2R Q9UKP6 1/20 0.36
MMP9 P14780 1/20 0.36
ADAM17 P78536 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
CACNA1G O43497 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RPS6KB1 P23443 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL6409321 0.97 UTS2R (0.42) ALDH1A1LMNACCR5MAPK1MMP1
SCHEMBL6410157 0.96 CACNA1G (0.42) ALDH1A1LMNACCR5MAPK1ALOX15
SCHEMBL6413430 0.94 CCR5 (0.41) ALDH1A1LMNACCR5MMP1MMP13
SCHEMBL6416011 0.93 ROCK2 (0.44) ALDH1A1LMNACCR5MAPK1ALOX15
SCHEMBL6410274 0.93 ALDH1A1 (0.38) ALDH1A1LMNACCR5MAPK1ALOX15
SCHEMBL6415595 0.93 MMP1 (0.40) ALDH1A1LMNACCR5MAPK1ALOX15
SCHEMBL6410848 0.92 CCR5 (0.43) ALDH1A1CCR5MAPK1ALOX15MMP1
Hydrochloric Acid SCHEMBL6410841 0.91 CCR5 (0.42) ALDH1A1CCR5MAPK1ALOX15MMP1
SCHEMBL6409348 0.91 ROCK2 (0.40) ALDH1A1LMNACCR5MMP1MMP13
SCHEMBL6411281 0.90 DRD2 (0.42) ALDH1A1LMNACCR5MAPK1ALOX15

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 2 patents. 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
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 ALDH1A1 869/4885LMNA 3107/4885CCR5 4/4885

“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.