SCHEMBL2470568

SCHEMBL2470568

Cc1cccnc1[C@H]1CCC[C@@H](c2ncccc2C)N1CCCCC(=O)NO

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 10/20 0.44
HDAC6 Q9UBN7 17/20 0.43
HDAC1 Q13547 14/20 0.43
HDAC4 P56524 10/20 0.43
HDAC7 Q8WUI4 10/20 0.43
HDAC2 Q92769 10/20 0.43
HDAC10 Q969S8 10/20 0.43
HDAC11 Q96DB2 9/20 0.43
HDAC8 Q9BY41 9/20 0.43
HDAC9 Q9UKV0 9/20 0.43
HDAC5 Q9UQL6 9/20 0.43

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
SCHEMBL2470461 0.99 HDAC3 (0.45) HDAC3HDAC6HDAC1HDAC4HDAC7
SCHEMBL2476650 0.97 HDAC6 (0.41) HDAC3HDAC6HDAC1HDAC4HDAC7
SCHEMBL15387150 0.87 CNR2 (0.41)
SCHEMBL2475030 0.87 HCRTR1 (0.39)
SCHEMBL8304298 0.85 ATM (0.40)
SCHEMBL2473403 0.84 ATM (0.41)
SCHEMBL2479313 0.84 CXCR4 (0.40)
SCHEMBL2476483 0.84 CXCR4 (0.40)
SCHEMBL2475712 0.83 ATM (0.42)
SCHEMBL2475170 0.83 CNR2 (0.42)

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2374804-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy Genzyme Corporation (US) 2011-10-12 EP claimed
US-7550484-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy GENZYME CORPORATION (US) 2009-06-23 US claimed
EP-2374804-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy Genzyme Corporation (US) 2011-10-12 EP disclosed
US-20090281308-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED, INC. (CA) 2009-11-12 US disclosed
US-20090281308-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED, INC. (CA) 2009-11-12 US disclosed
US-7550484-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy GENZYME CORPORATION (US) 2009-06-23 US disclosed
US-7550484-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy GENZYME CORPORATION (US) 2009-06-23 US disclosed
US-7550484-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy GENZYME CORPORATION (US) 2009-06-23 US disclosed
US-7501518-B2 Methods of making 2,6-diaryl piperidine derivatives GENZYME CORPORATION (US) 2009-03-10 US disclosed
US-7501518-B2 Methods of making 2,6-diaryl piperidine derivatives GENZYME CORPORATION (US) 2009-03-10 US disclosed
US-7501518-B2 Methods of making 2,6-diaryl piperidine derivatives GENZYME CORPORATION (US) 2009-03-10 US disclosed
US-20050154201-A1 Methods of making 2,6-diaryl piperidine derivatives ANORMED CORPORATION (CA) 2005-07-14 US disclosed
US-20050059702-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy ANORMED CORPORATION (CA) 2005-03-17 US disclosed
WO-2004093817-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC. (CA) 2004-11-04 WO 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 (3 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-20050154201-A1 Methods of making 2,6-diaryl piperidine derivatives ALDH7A1, DPYD, ALDH1A1 HDAC3 1001/4885HDAC6 885/4885HDAC1 379/4885
US-20050059702-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CXCR4, CXCR1, CCR5 HDAC3 2088/4885HDAC6 2280/4885HDAC1 1173/4885
US-20090281308-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY CXCR4, CXCR1, CCR5 HDAC3 2088/4885HDAC6 2280/4885HDAC1 1173/4885

“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.