SCHEMBL6410286

SCHEMBL6410286

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 4/20 0.38
KCNA3 P22001 1/20 0.36
CXCR3 P49682 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
CCR5 P51681 5/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 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 SCHEMBL6410281 0.99 HDAC11 (0.37) HDAC11KCNA3CXCR3MEN1KMT2A
SCHEMBL6417273 0.93 HDAC11 (0.37) HDAC11ALDH1A1MAPTLMNAPOLB
SCHEMBL6410226 0.92 ROCK2 (0.43) HDAC11CXCR3MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL6417268 0.92 HDAC11 (0.37) HDAC11ALDH1A1MAPTLMNAPOLB
Hydrochloric Acid SCHEMBL6410218 0.92 ROCK2 (0.42) HDAC11CXCR3MEN1KMT2ALMNA
SCHEMBL6409153 0.92 MEN1 (0.42) MEN1KMT2AALDH1A1LMNAPOLB
Hydrochloric Acid SCHEMBL6409150 0.91 MEN1 (0.41) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL6409128 0.90 CCR5 (0.46) LMNASMN1; SMN2CCR5NPSR1
SCHEMBL6412682 0.90 DRD2 (0.37) HDAC11ALDH1A1MAPTLMNAPOLB
SCHEMBL6409935 0.90 HDAC11 (0.37) HDAC11ROCK2ROCK1HCRTR1HCRTR2

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 disclosed

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 431/4885KCNA3 2165/4885CXCR3 7/4885

“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.