SCHEMBL4222806

SCHEMBL4222806

O=C(O)/C=C/c1ccc(N[C@@H]2CCN(Cc3ccccc3)C2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.62
HTR2C P28335 5/20 0.62
HTR2B P41595 5/20 0.62
SIGMAR1 Q99720 5/20 0.62
DRD2 P14416 4/20 0.62
DRD4 P21917 2/20 0.53
ROCK2 O75116 1/20 0.53
CCR2 P41597 1/20 0.53
ROCK1 Q13464 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
GPR183 P32249 1/20 0.51
FAAH O00519 1/20 0.51
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
BACE1 P56817 1/20 0.50
CCR3 P51677 1/20 0.50

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
SCHEMBL4222813 1.00 HTR2A (0.62) HTR2AHTR2CHTR2BSIGMAR1DRD2
Hydrochloric Acid SCHEMBL4223693 0.90 DRD2 (0.59) HTR2AHTR2CHTR2BSIGMAR1DRD2
Hydrochloric Acid SCHEMBL4223698 0.90 DRD2 (0.59) HTR2AHTR2CHTR2BSIGMAR1DRD2
SCHEMBL4218578 0.86 HTR2A (0.56) HTR2AHTR2CHTR2BSIGMAR1DRD2
SCHEMBL4219115 0.86 HTR2A (0.56) HTR2AHTR2CHTR2BSIGMAR1DRD2
SCHEMBL4218586 0.86 HTR2A (0.56) HTR2AHTR2CHTR2BSIGMAR1DRD2
SCHEMBL4221456 0.86 HTR2A (0.56) HTR2AHTR2CHTR2BSIGMAR1DRD2
SCHEMBL4219112 0.86 HTR2A (0.56) HTR2AHTR2CHTR2BSIGMAR1DRD2
SCHEMBL4221451 0.86 HTR2A (0.56) HTR2AHTR2CHTR2BSIGMAR1DRD2
SCHEMBL4221560 0.85 ROCK2 (0.52) HTR2AHTR2CHTR2BSIGMAR1DRD2

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 HTR2A 621/4885HTR2C 1291/4885HTR2B 692/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 HTR2A 436/4885HTR2C 847/4885HTR2B 509/4885

“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.