SCHEMBL8346658

SCHEMBL8346658

O=C(O)c1ccc(N2CCC(NC(=O)c3ccc4ccccc4c3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 15/20 0.64
▸ SLC6A12 P48065 1/20 0.64
▸ SLC6A13 Q9NSD5 1/20 0.64
▸ MEN1 O00255 1/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ MCL1 Q07820 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ HTR1A P08908 1/20 0.55
▸ MCHR1 Q99705 1/20 0.55

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
SCHEMBL10144870 0.89 DRD4 (0.60) DRD4SLC6A12SLC6A13MEN1NPC1
SCHEMBL15560163 0.87 SMYD3 (0.59) MEN1NPC1POLBMAPTRAB9A
SCHEMBL28975684 0.81 DRD4 (0.67) DRD4SLC6A12SLC6A13MEN1NPC1
SCHEMBL8071964 0.81 LTA4H (0.52) DRD4SLC6A12SLC6A13MEN1NPC1
SCHEMBL10194565 0.79 SFRP1 (0.60) MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL8347463 0.79 DRD4 (0.48) DRD4SLC6A12SLC6A13MEN1NPC1
SCHEMBL2753551 0.79 DRD4 (0.64) DRD4SLC6A12SLC6A13NPC1MAPT
SCHEMBL3958961 0.78 POLB (0.58) MEN1NPC1POLBMAPTRAB9A
SCHEMBL13906738 0.78 USP2 (0.50) MEN1POLBMAPTRAB9AKMT2A
SCHEMBL10965667 0.78 DRD4 (0.58) DRD4SLC6A12SLC6A13SMN1; SMN2MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394831-B2 Carbonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA, N.V. (BE) 2013-03-12 — — US disclosed
US-8394831-B2 Carbonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA, N.V. (BE) 2013-03-12 — — US disclosed
US-20120041001-A1 CARBONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA, NV (BE) 2012-02-16 — — US disclosed
US-20120041001-A1 CARBONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA, NV (BE) 2012-02-16 — — US disclosed
US-8071615-B2 Carbonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2011-12-06 — — US disclosed
US-8071615-B2 Carbonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2011-12-06 — — US disclosed
US-20090042920-A1 CARBONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE VAN EMELEN KRISTOF 2009-02-12 — — US disclosed
US-20090042920-A1 CARBONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE VAN EMELEN KRISTOF 2009-02-12 — — US disclosed
US-7446109-B2 Carbonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-04 — — US disclosed
US-7446109-B2 Carbonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-04 — — US disclosed
EP-1485348-B1 CARBONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2008-06-11 — — EP disclosed
WO-2003076395-A1 CARBONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2003-09-18 — — 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-20090042920-A1 CARBONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC11 DRD4 2961/4885SLC6A12 4568/4885SLC6A13 4834/4885
US-20120041001-A1 CARBONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC11 DRD4 2961/4885SLC6A12 4568/4885SLC6A13 4834/4885

“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.

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