SCHEMBL6409386

SCHEMBL6409386

COc1ccc(C(=O)NC(CCN2CCC3(CC2)CCN(Cc2ccc(S(C)(=O)=O)cc2)C3=O)c2ccccc2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CCR2 P41597 1/20 0.41
ROCK2 O75116 6/20 0.40
ROCK1 Q13464 6/20 0.40
CCR5 P51681 4/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
UTS2R Q9UKP6 4/20 0.39
ALDH1A1 P00352 1/20 0.39
NOX1 Q9Y5S8 1/20 0.38

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 SCHEMBL5252193 0.99 PPARG (0.43) PPARGLMNAMAPTNPSR1CCR2
SCHEMBL6415211 0.91 ROCK2 (0.46) LMNAMAPTNPSR1ROCK2ROCK1
SCHEMBL6409427 0.91 ROCK2 (0.46) PPARGLMNAMAPTCCR2ROCK2
SCHEMBL6410472 0.90 MAPT (0.43) LMNAMAPTNPSR1ROCK2ROCK1
SCHEMBL6409171 0.90 ROCK2 (0.45) PPARGCCR2ROCK2ROCK1CCR5
Hydrochloric Acid SCHEMBL6416127 0.90 ROCK2 (0.45) LMNAMAPTNPSR1ROCK2ROCK1
SCHEMBL6411114 0.90 SIGMAR1 (0.42) CCR2CCR5
Hydrochloric Acid SCHEMBL6411840 0.90 ROCK2 (0.45) PPARGLMNAMAPTCCR2ROCK2
Hydrochloric Acid SCHEMBL6415308 0.90 MAPT (0.43) LMNAMAPTNPSR1ROCK2ROCK1
Hydrochloric Acid SCHEMBL6414756 0.90 ROCK2 (0.45) PPARGCCR2ROCK2ROCK1CCR5

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 PPARG 171/4885LMNA 3107/4885MAPT 4525/4885

“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.