SCHEMBL4222452

SCHEMBL4222452

Cc1ccc(CN2CCC(Nc3ncc(C=CC(=O)NOC4CCCCO4)cc3Cl)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.41
TSHR P16473 1/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
ACHE P22303 1/20 0.41
HDAC1 Q13547 1/20 0.39
EHMT1 Q9H9B1 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
SSTR5 P35346 3/20 0.38
SSTR1 P30872 1/20 0.38
HRH1 P35367 1/20 0.38
EHMT2 Q96KQ7 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
SLC2A1 P11166 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
SCHEMBL4222444 1.00 MCHR1 (0.41) MCHR1TSHRMAOAMAOBACHE
SCHEMBL4229585 0.96 MAOA (0.38) MCHR1TSHRMAOAMAOBACHE
SCHEMBL4229579 0.96 MAOA (0.38) MCHR1TSHRMAOAMAOBACHE
SCHEMBL4226356 0.94 MCHR1 (0.47) MCHR1ACHEHDAC1EHMT1HDAC6
SCHEMBL4226363 0.94 MCHR1 (0.47) MCHR1ACHEHDAC1EHMT1HDAC6
SCHEMBL4218821 0.93 ACHE (0.43) MCHR1MAOAMAOBACHEHDAC1
SCHEMBL4218810 0.93 ACHE (0.43) MCHR1MAOAMAOBACHEHDAC1
SCHEMBL4223490 0.93 MCHR1 (0.41) MCHR1MAOAMAOBACHEHDAC1
SCHEMBL4223498 0.93 MCHR1 (0.41) MCHR1MAOAMAOBACHEHDAC1
SCHEMBL4231670 0.92 HTR2A (0.45) MAOAMAOBACHEHDAC1EHMT1

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 6 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
EP-1776357-A1 HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) Astellas Pharma Inc. (JP) 2007-04-25 EP disclosed
US-20060052599-A1 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2006-03-09 US disclosed
WO-2006016680-A1 HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) ASTELLAS PHARMA INC. (JP) 2006-02-16 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 (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 MCHR1 997/4885TSHR 601/4885MAOA 823/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 MCHR1 1149/4885TSHR 536/4885MAOA 515/4885

“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.