SCHEMBL4229630

SCHEMBL4229630

O=C(O)N[C@@H]1CCN(CC2CCCCC2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.46
RAMP1 O60894 1/20 0.39
CALCRL Q16602 1/20 0.39
CHRM5 P08912 1/20 0.38
ADRA2C P18825 1/20 0.38
CCR1 P32246 2/20 0.38
ACE P12821 6/20 0.36
MME P08473 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
BIRC2 Q13490 1/20 0.35
CHRM2 P08172 3/20 0.35
CHRM1 P11229 3/20 0.35
CHRM3 P20309 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL3247749 0.88 RAMP1 (0.48) FPR2RAMP1CALCRLACEMME
SCHEMBL5638625 0.88 RAMP1 (0.48) FPR2RAMP1CALCRLACEMME
SCHEMBL892512 0.76 CHRM5 (0.41) FPR2CHRM5ADRA2CCCR1ACE
SCHEMBL6986804 0.76 F10 (0.50) ACE
SCHEMBL6986800 0.76 F10 (0.50) ACE
SCHEMBL27706684 0.75 RAMP1 (0.43) FPR2RAMP1CALCRLACEMME
SCHEMBL15578246 0.74 CALCRL (0.41) FPR2CALCRLACE
SCHEMBL21143944 0.74 ACE (0.44) ACEMME
SCHEMBL5638958 0.74 ACE (0.44) ACEMME
SCHEMBL10941726 0.74 ACE (0.59) ACEMME

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 FPR2 1682/4885RAMP1 1668/4885CALCRL 4578/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 FPR2 1992/4885RAMP1 1704/4885CALCRL 4622/4885

“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.