SCHEMBL6409935

SCHEMBL6409935

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

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 5/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
CCR5 P51681 9/20 0.36
ACACB O00763 1/20 0.35
AVPR1B P47901 2/20 0.35
AKT1 P31749 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34

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 SCHEMBL6417487 0.99 HDAC11 (0.37) HDAC11HCRTR1HCRTR2CCR5ACACB
SCHEMBL6410745 0.91 HDAC11 (0.36) HDAC11CCR5AVPR1BAKT1ROCK2
Hydrochloric Acid SCHEMBL6413751 0.91 HDAC11 (0.36) HDAC11CCR5AVPR1BAKT1ROCK2
SCHEMBL6409712 0.90 POLB (0.40) HCRTR1HCRTR2CCR5
SCHEMBL6417273 0.90 HDAC11 (0.37) HDAC11CCR5AKT1ROCK2ROCK1
SCHEMBL6410716 0.90 CCR5 (0.38) HDAC11HCRTR1HCRTR2CCR5AVPR1B
SCHEMBL6410286 0.90 HDAC11 (0.38) HDAC11HCRTR1HCRTR2CCR5ROCK2
Hydrochloric Acid SCHEMBL6409854 0.90 POLB (0.39) HCRTR1HCRTR2CCR5
Hydrochloric Acid SCHEMBL6408691 0.90 ROCK2 (0.41) CCR5ROCK2ROCK1
Hydrochloric Acid SCHEMBL6409812 0.89 CCR5 (0.37) HDAC11HCRTR1HCRTR2CCR5AVPR1B

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 HDAC11 431/4885HCRTR1 121/4885HCRTR2 247/4885

“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.