SCHEMBL2846604

SCHEMBL2846604

COCCN1CCN(c2ccc(C(C(=O)NO)c3ccccc3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.54
ADRA1A P35348 1/20 0.54
ADRA1B P35368 1/20 0.54
ADRB1 P08588 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2B P41595 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
HTR1A P08908 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
MAPT P10636 2/20 0.47

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
SCHEMBL20490217 0.90 ADRA1D (0.49) ADRA1DADRA1AADRA1BSIGMAR1HTR1A
SCHEMBL20490541 0.85 ADRA1D (0.61) ADRA1DADRA1AADRA1BSIGMAR1HDAC3
SCHEMBL20490485 0.85 ADRA1D (0.55) ADRA1DADRA1AADRA1BHDAC3HDAC4
SCHEMBL20490299 0.84 CHRNA7 (0.55) ADRA1DADRA1AADRA1BSIGMAR1HDAC3
SCHEMBL2871390 0.84 ADRA1D (0.54) ADRA1DADRA1AADRA1BHDAC3HDAC4
SCHEMBL2837033 0.83 HDAC4 (0.58) ADRA1DADRA1AADRA1BSIGMAR1HDAC3
SCHEMBL2837573 0.83 HDAC4 (0.66) ADRA1DADRA1AADRA1BHDAC3HDAC4
SCHEMBL2843919 0.82 MAPK1 (0.56) ADRB1HTR2AHTR2BSIGMAR1HTR1A
SCHEMBL2868778 0.81 DRD4 (0.57) ADRA1DADRA1AADRA1BHTR2AHTR2B
SCHEMBL2844935 0.79 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139850-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2018-09-12 EP claimed
EP-2139850-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2018-09-12 EP disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
CN-101679220-A Histone deacetylase inhibitor METHYLGENE INC 2010-03-24 CN disclosed
EP-2139850-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2010-01-06 EP disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
WO-2008122115-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-10-16 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 (1 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-20090181943-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 ADRA1D 2777/4885ADRA1A 2560/4885ADRA1B 2617/4885

“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.