SCHEMBL6409526

SCHEMBL6409526

O=C(NC(CCN1CCC2(CC1)CCN(Cc1cccnc1)C2=O)c1ccccc1)c1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
HCRTR2 O43614 1/20 0.41
UTS2R Q9UKP6 3/20 0.40
PTGER4 P35408 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
POLB P06746 1/20 0.39
VNN1 O95497 1/20 0.39
ALDH1A1 P00352 3/20 0.38
PLD2 O14939 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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 SCHEMBL6408289 0.99 GAA (0.43) GAAROCK2ROCK1HCRTR2UTS2R
SCHEMBL6410424 0.89 ROCK2 (0.52) ROCK2ROCK1HCRTR2UTS2RPLD2
SCHEMBL6410284 0.89 UTS2R (0.52) GAAROCK2ROCK1HCRTR2UTS2R
SCHEMBL6412889 0.89 ROCK2 (0.49) ROCK2ROCK1HCRTR2UTS2RLMNA
Hydrochloric Acid SCHEMBL6410108 0.89 ROCK2 (0.51) ROCK2ROCK1HCRTR2UTS2RPLD2
SCHEMBL6409647 0.88 ROCK2 (0.46) ROCK2ROCK1HCRTR2UTS2RCHRNB2
SCHEMBL6409428 0.88 MAPK1 (0.44) GAAROCK2ROCK1HCRTR2PTGER4
Hydrochloric Acid SCHEMBL6412847 0.88 UTS2R (0.51) GAAROCK2ROCK1HCRTR2UTS2R
SCHEMBL6410451 0.88 POLB (0.46) ROCK2ROCK1HCRTR2POLBALDH1A1
Hydrochloric Acid SCHEMBL6408427 0.88 ROCK2 (0.48) ROCK2ROCK1HCRTR2UTS2RLMNA

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 GAA 4238/4885ROCK2 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.