SCHEMBL6416612

SCHEMBL6416612

COc1ccc(C(=O)NC(CCN2CCC3(CC2)CCN(Cc2ccc(Br)cc2)C3=O)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.47
ROCK1 Q13464 3/20 0.47
MCHR1 Q99705 1/20 0.45
CCR5 P51681 1/20 0.45
UTS2R Q9UKP6 5/20 0.44
CACNA1G O43497 1/20 0.42
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
ADAM17 P78536 1/20 0.41
HDAC1 Q13547 1/20 0.41
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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 SCHEMBL6409814 0.99 ROCK2 (0.46) ROCK2ROCK1MCHR1CCR5UTS2R
SCHEMBL6409997 0.96 ROCK2 (0.50) ROCK2ROCK1CCR5UTS2RHDAC1
Hydrochloric Acid SCHEMBL6415177 0.95 ROCK2 (0.49) ROCK2ROCK1CCR5UTS2RHDAC1
SCHEMBL6418297 0.94 UTS2R (0.49) ROCK2ROCK1CCR5UTS2RCYP2D6
Hydrochloric Acid SCHEMBL6415576 0.94 UTS2R (0.48) ROCK2ROCK1CCR5UTS2RCYP2D6
SCHEMBL6412955 0.93 UTS2R (0.53) ROCK2ROCK1CCR5UTS2RCYP2D6
SCHEMBL6409636 0.92 ROCK2 (0.47) ROCK2ROCK1MCHR1CCR5UTS2R
Hydrochloric Acid SCHEMBL6409513 0.92 UTS2R (0.52) ROCK2ROCK1CCR5UTS2R
SCHEMBL6408477 0.92 UTS2R (0.52) ROCK2ROCK1MCHR1CCR5UTS2R
Hydrochloric Acid SCHEMBL6412116 0.92 ROCK2 (0.47) ROCK2ROCK1MCHR1CCR5UTS2R

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 ROCK2 1735/4885ROCK1 1002/4885MCHR1 246/4885

“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.