SCHEMBL4220992

SCHEMBL4220992

O=C(O)/C=C/c1ccc(NC2CCN(CC3CCCCC3)CC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.48
HCAR3 P49019 3/20 0.43
CHRM2 P08172 4/20 0.43
CHRM1 P11229 4/20 0.43
CHRM3 P20309 4/20 0.43
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
PRKAA2 P54646 1/20 0.41
P4HTM Q9NXG6 1/20 0.40
RARB P10826 1/20 0.40
SLC2A1 P11166 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL4220998 1.00 CCR1 (0.48) CCR1HCAR3CHRM2CHRM1CHRM3
SCHEMBL4215489 0.89 HCAR3 (0.41) CCR1HCAR3CHRM2CHRM1CHRM3
SCHEMBL4227644 0.89 HCAR3 (0.41) CCR1HCAR3CHRM2CHRM1CHRM3
SCHEMBL4215495 0.89 HCAR3 (0.41) CCR1HCAR3CHRM2CHRM1CHRM3
SCHEMBL4227640 0.89 HCAR3 (0.41) CCR1HCAR3CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL4222822 0.89 HDAC1 (0.48) CCR1CHRM2CHRM1CHRM3PRKAA2
SCHEMBL5170168 0.89 HCAR3 (0.41) CCR1HCAR3CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL4222832 0.89 HDAC1 (0.48) CCR1CHRM2CHRM1CHRM3PRKAA2
SCHEMBL4221891 0.88 P4HTM (0.41) CCR1HCAR3P4HTMSLC2A1DRD2
SCHEMBL5168703 0.88 P4HTM (0.41) CCR1HCAR3P4HTMSLC2A1DRD2

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 CCR1 1793/4885HCAR3 137/4885CHRM2 3524/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 CCR1 1931/4885HCAR3 148/4885CHRM2 3636/4885

“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.