SCHEMBL6415644

SCHEMBL6415644

O=C(NC(CCN1CCC2(CC1)CCN(Cc1cccnc1)C2=O)c1ccccc1)c1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 4/20 0.46
ROCK2 O75116 2/20 0.44
ROCK1 Q13464 2/20 0.44
PPARG P37231 1/20 0.42
POLB P06746 1/20 0.41
SUCNR1 Q9BXA5 2/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
MAPT P10636 2/20 0.40
PLD2 O14939 1/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GFER P55789 1/20 0.39
HCRTR2 O43614 1/20 0.39
NPC1 O15118 1/20 0.39

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 SCHEMBL6408982 0.99 UTS2R (0.45) UTS2RROCK2ROCK1PPARGPOLB
SCHEMBL6410424 0.92 ROCK2 (0.52) UTS2RROCK2ROCK1PPARGPLD2
SCHEMBL6410284 0.92 UTS2R (0.52) UTS2RROCK2ROCK1PPARGPLD2
SCHEMBL6412889 0.91 ROCK2 (0.49) UTS2RROCK2ROCK1PPARGLMNA
Hydrochloric Acid SCHEMBL6410108 0.91 ROCK2 (0.51) UTS2RROCK2ROCK1PPARGPLD2
SCHEMBL6409647 0.91 ROCK2 (0.46) UTS2RROCK2ROCK1PPARGCHRNB2
Hydrochloric Acid SCHEMBL6412847 0.91 UTS2R (0.51) UTS2RROCK2ROCK1PPARGSMN1; SMN2
Hydrochloric Acid SCHEMBL6408427 0.91 ROCK2 (0.48) UTS2RROCK2ROCK1PPARGLMNA
Hydrochloric Acid SCHEMBL6412697 0.90 ROCK2 (0.46) UTS2RROCK2ROCK1PPARGCHRNB2
SCHEMBL6415863 0.90 ROCK2 (0.51) ROCK2ROCK1PPARGMAPTTSHR

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 UTS2R 126/4885ROCK2 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.