SCHEMBL6416494

SCHEMBL6416494

COc1cccc(CC(=O)NC(CCN2CCC3(CC2)CCN(Cc2cccnc2)C3=O)c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
ROCK2 O75116 2/20 0.45
ROCK1 Q13464 2/20 0.45
CCR5 P51681 2/20 0.43
SIGMAR1 Q99720 2/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GFER P55789 1/20 0.41
NOX4 Q9NPH5 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
LMNA P02545 1/20 0.39
HCRTR2 O43614 1/20 0.39
TRPV6 Q9H1D0 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 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 SCHEMBL6408952 0.99 MAPT (0.46) MAPTROCK2ROCK1CCR5SIGMAR1
SCHEMBL6408495 0.93 CCR5 (0.50) MAPTROCK2ROCK1CCR5SIGMAR1
Hydrochloric Acid SCHEMBL6415202 0.93 CCR5 (0.49) MAPTROCK2ROCK1CCR5SIGMAR1
SCHEMBL6410334 0.92 SIGMAR1 (0.42) MAPTROCK2ROCK1CCR5SIGMAR1
SCHEMBL6409525 0.92 CCR5 (0.48) MAPTROCK2ROCK1CCR5SIGMAR1
SCHEMBL6409327 0.91 HCRTR2 (0.43) ROCK2ROCK1CCR5SIGMAR1ALDH1A1
Hydrochloric Acid SCHEMBL6414847 0.91 SIGMAR1 (0.41) MAPTROCK2ROCK1CCR5SIGMAR1
Hydrochloric Acid SCHEMBL6415242 0.91 CCR5 (0.48) MAPTROCK2ROCK1CCR5SIGMAR1
Hydrochloric Acid SCHEMBL6409905 0.91 HCRTR2 (0.43) ROCK2ROCK1CCR5SIGMAR1ALDH1A1
SCHEMBL6415863 0.90 ROCK2 (0.51) MAPTROCK2ROCK1

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 MAPT 4525/4885ROCK2 1735/4885ROCK1 1002/4885

“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.