SCHEMBL4233997

SCHEMBL4233997

O=C(O)C=Cc1cnc(N[C@@H]2CCN(Cc3cccc(F)c3)C2)cn1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.49
CCR3 P51677 6/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
FAAH O00519 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
MC4R P32245 1/20 0.42
ROCK2 O75116 1/20 0.42
UBE2M P61081 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.41

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
SCHEMBL4233989 1.00 SIGMAR1 (0.49) SIGMAR1CCR3DRD2DRD4ALDH1A1
SCHEMBL1707309 0.92 OPRM1 (0.42) SIGMAR1DRD2DRD4MC4R
SCHEMBL1707312 0.92 OPRM1 (0.42) SIGMAR1DRD2DRD4MC4R
Hydrochloric Acid SCHEMBL4222377 0.91 CCR3 (0.48) SIGMAR1CCR3DRD2DRD4ALDH1A1
Hydrochloric Acid SCHEMBL4222392 0.91 CCR3 (0.48) SIGMAR1CCR3DRD2DRD4ALDH1A1
SCHEMBL4219565 0.90 BCHE (0.49) DRD4FAAHKMT2AROCK2DCUN1D1
SCHEMBL4217425 0.90 SIGMAR1 (0.46) SIGMAR1CCR3DRD2DRD4ROCK2
SCHEMBL4217413 0.90 SIGMAR1 (0.46) SIGMAR1CCR3DRD2DRD4ROCK2
SCHEMBL4215265 0.90 BCHE (0.49) DRD4FAAHKMT2AROCK2DCUN1D1
SCHEMBL4227610 0.90 SIGMAR1 (0.49) SIGMAR1DRD2DRD4ROCK2

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 SIGMAR1 1585/4885CCR3 3068/4885DRD2 1798/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 SIGMAR1 1514/4885CCR3 3156/4885DRD2 1314/4885

“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.