SCHEMBL4222500

SCHEMBL4222500

CC(C)CN1CCC(Nc2ncc(C=CC(=O)NOC3CCCCO3)cc2Cl)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
PDK1 Q15118 1/20 0.33
CCR2 P41597 5/20 0.33
MCHR1 Q99705 3/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
HDAC1 Q13547 1/20 0.32
EHMT1 Q9H9B1 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
P2RY12 Q9H244 1/20 0.32
CCNT1 O60563 1/20 0.31
WNT1 P04628 1/20 0.31
DYRK1A Q13627 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL4222491 1.00 TGFBR1 (0.34) TGFBR1HSP90AA1HSP90AB1PDK1CCR2
SCHEMBL4219377 0.89 CCR2 (0.39) TGFBR1CCR2
SCHEMBL4219386 0.89 CCR2 (0.39) TGFBR1CCR2
SCHEMBL4221748 0.88 CCNA2 (0.38) TGFBR1CCNA2CDK2CCNA1CDK5
SCHEMBL4221736 0.88 CCNA2 (0.38) TGFBR1CCNA2CDK2CCNA1CDK5
SCHEMBL4227675 0.88 CCNA2 (0.34) TGFBR1CCR2MCHR1CCNA2CDK2
SCHEMBL4227689 0.88 CCNA2 (0.34) TGFBR1CCR2MCHR1CCNA2CDK2
SCHEMBL4219169 0.88 SLC2A1 (0.37) CCR2
SCHEMBL4219159 0.88 SLC2A1 (0.37) CCR2
SCHEMBL4222444 0.87 MCHR1 (0.41) MCHR1HDAC1EHMT1HDAC6MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557127-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2009-07-07 US disclosed
US-20090054464-A1 HDAC INHIBITOR ASTELLAS PHARMA INC. (JP) 2009-02-26 US disclosed
US-7465731-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2008-12-16 US disclosed
US-20060052599-A1 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2006-03-09 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 (2 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-20060052599-A1 HDAC inhibitor HDAC1, HDAC2, HDAC11 TGFBR1 269/4885HSP90AA1 985/4885HSP90AB1 892/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 TGFBR1 398/4885HSP90AA1 1102/4885HSP90AB1 964/4885

“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.