SCHEMBL6418852

SCHEMBL6418852

O=C(NC(CCN1CCC2(CC1)CCN(Cc1ccc(Br)cc1)C2=O)c1ccccc1)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.46
ROCK1 Q13464 2/20 0.46
UTS2R Q9UKP6 4/20 0.44
CHRM2 P08172 1/20 0.40
CCR5 P51681 3/20 0.39
LMNA P02545 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
EPHX2 P34913 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MC4R P32245 1/20 0.37

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 SCHEMBL6416620 0.99 ROCK2 (0.45) ROCK2ROCK1UTS2RCHRM2CCR5
SCHEMBL6412889 0.92 ROCK2 (0.49) ROCK2ROCK1UTS2RCHRM2CCR5
SCHEMBL6408477 0.92 UTS2R (0.52) ROCK2ROCK1UTS2RCCR5LMNA
Hydrochloric Acid SCHEMBL6408427 0.91 ROCK2 (0.48) ROCK2ROCK1UTS2RCHRM2CCR5
SCHEMBL6411896 0.91 ROCK1 (0.54) ROCK2ROCK1UTS2RCCR5LMNA
Hydrochloric Acid SCHEMBL6412861 0.91 UTS2R (0.51) ROCK2ROCK1UTS2RCCR5LMNA
Hydrochloric Acid SCHEMBL6414705 0.90 ROCK1 (0.54) ROCK2ROCK1UTS2RCCR5LMNA
SCHEMBL6415293 0.90 ROCK2 (0.47) ROCK2ROCK1UTS2RCCR5MAPT
SCHEMBL6410424 0.89 ROCK2 (0.52) ROCK2ROCK1UTS2RCHRM2CCR5
Hydrochloric Acid SCHEMBL6416610 0.89 ROCK2 (0.46) ROCK2ROCK1UTS2RCCR5MAPT

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 1002/4885UTS2R 126/4885

“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.