SCHEMBL6408926

SCHEMBL6408926

O=C(NC(CCN1CCC2(CC1)CCN(Cc1ccc(Br)cc1)C2=O)c1cccc(Cl)c1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 4/20 0.49
WDR91 A4D1P6 1/20 0.41
ROCK2 O75116 3/20 0.41
ROCK1 Q13464 3/20 0.41
CCR5 P51681 4/20 0.39
ACE2 Q9BYF1 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RIPK1 Q13546 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM3 P20309 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 SCHEMBL6415367 0.99 UTS2R (0.48) UTS2RWDR91ROCK2ROCK1CCR5
SCHEMBL6416471 0.95 UTS2R (0.49) UTS2RWDR91ROCK2ROCK1CCR5
Hydrochloric Acid SCHEMBL6409279 0.94 UTS2R (0.48) UTS2RWDR91ROCK2ROCK1CCR5
SCHEMBL6408477 0.93 UTS2R (0.52) UTS2RWDR91ROCK2ROCK1CCR5
Hydrochloric Acid SCHEMBL6412861 0.92 UTS2R (0.51) UTS2RWDR91ROCK2ROCK1CCR5
SCHEMBL6413738 0.91 UTS2R (0.55) UTS2RWDR91ROCK2ROCK1CCR5
Hydrochloric Acid SCHEMBL6409140 0.90 UTS2R (0.55) UTS2RWDR91ROCK2ROCK1CCR5
SCHEMBL6409712 0.90 POLB (0.40) UTS2RCCR5
Hydrochloric Acid SCHEMBL6409854 0.89 POLB (0.39) UTS2RCCR5
SCHEMBL6409636 0.88 ROCK2 (0.47) UTS2RROCK2ROCK1CCR5LMNA

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 126/4885WDR91 910/4885ROCK2 1735/4885

“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.