SCHEMBL6410293

SCHEMBL6410293

O=C(NC(CCN1CCC2(CC1)CCN(Cc1ccc(Br)cc1)C2=O)c1ccccc1)c1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 4/20 0.42
HDAC11 Q96DB2 4/20 0.40
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ITGB1 P05556 2/20 0.39
ITGA4 P13612 2/20 0.39
ITGB7 P26010 2/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
GAA P10253 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 SCHEMBL6409764 0.99 UTS2R (0.42) UTS2RHDAC11LMNANPSR1ITGB1
SCHEMBL6408477 0.90 UTS2R (0.52) UTS2RLMNANPSR1ROCK2ROCK1
SCHEMBL6409397 0.89 CCR5 (0.47) UTS2RLMNAITGB1ITGA4ITGB7
Hydrochloric Acid SCHEMBL6412861 0.89 UTS2R (0.51) UTS2RLMNANPSR1ROCK2ROCK1
SCHEMBL6409642 0.89 POLB (0.40) UTS2RHDAC11LMNANPSR1ROCK2
Hydrochloric Acid SCHEMBL6408752 0.89 CCR5 (0.46) UTS2RLMNAITGB1ITGA4ITGB7
SCHEMBL6410051 0.89 CCR2 (0.44) UTS2RLMNAITGB1ITGA4ITGB7
SCHEMBL6413738 0.88 UTS2R (0.55) UTS2RROCK2ROCK1GAA
Hydrochloric Acid SCHEMBL6409953 0.88 CCR2 (0.44) UTS2RLMNAITGB1ITGA4ITGB7
Hydrochloric Acid SCHEMBL6408862 0.88 POLB (0.40) UTS2RHDAC11LMNANPSR1ROCK2

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 126/4885HDAC11 431/4885LMNA 3107/4885

“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.