SCHEMBL360262

SCHEMBL360262

C=CCN1CC[N]C(O)C1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.33
DRD1 P21728 3/20 0.31
KDM4E B2RXH2 2/20 0.31
MTOR P42345 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
THPO P40225 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
DRD2 P14416 1/20 0.31
LMNA P02545 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL3804161 0.76 SIGMAR1 (0.30) SIGMAR1
SCHEMBL7851386 0.72
SCHEMBL2078295 0.72
SCHEMBL9835272 0.70 DRD3 (0.32) DRD3
SCHEMBL7598071 0.69
SCHEMBL16901706 0.69
SCHEMBL7703025 0.69 HTR3A (0.30)
SCHEMBL2297832 0.68
SCHEMBL21309262 0.68 GBA1 (0.38) DRD3DRD1KDM4EMTORCYP2D6
SCHEMBL300105 0.68

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 118 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9533979-B2 Amino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA NV (BE) 2017-01-03 US claimed
US-20150065478-A1 Amino-Derivatives As Novel Inhibitors Of Histone Deacetylase JANSSEN PHARMACEUTICA NV (BE) 2015-03-05 US claimed
US-8916554-B2 Amino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA, N.V. (BE) 2014-12-23 US claimed
US-8865720-B2 Sulfonyl-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA NV (BE) 2014-10-21 US claimed
US-20140038979-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2014-02-06 US claimed
US-20130303506-A1 AMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICAL N.V. (BE) 2013-11-14 US claimed
US-8557825-B2 Sulfonyl-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2013-10-15 US claimed
US-8524711-B2 Amino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2013-09-03 US claimed
US-8513237-B2 Sulfonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2013-08-20 US claimed
US-8501737-B2 Piperazinyl-, piperidinyl- and morpholinyl-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2013-08-06 US claimed
US-20070142393-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE EMELEN KRISTOF V 2007-06-21 US claimed
US-7205304-B2 medicine to inhibit proliferative conditions, such as cancer and psoriasis JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-17 US claimed
WO-2005030705-A9 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2006-04-20 WO claimed
US-20050222414-A1 N-(4-methylphenyl)-4-[4-[[(phenylmethoxy)amino]carbonyl]phenyl]-1-piperazinecarboxamide; anticarcinogenic, antiproliferative agent; ovarian carcinoma, psoriasis; gene transcription control JANSSEN PHARMACEUTICA N.V. (BE) 2005-10-06 US claimed
US-20050171347-A1 Sulfonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2005-08-04 US claimed
US-20050165016-A1 used to inhibit proliferative conditions, such as cancer and psoriasis, with improved bioavailability and stability JANSSEN PHARMACEUTICA NV (BE) 2005-07-28 US claimed
US-20050148613-A1 Carbonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA, N.V. (BE) 2005-07-07 US claimed
US-20050119250-A1 Antiproliferative agents JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 US claimed
US-20050113373-A1 medicine to inhibit proliferative conditions, such as cancer and psoriasis; detecting or identifying a histone deactylase (HDAC) in a biological sample JANSSEN PHARMACEUTICA N.V. (BE) 2005-05-26 US claimed
US-20050107384-A1 to inhibit proliferative conditions, such as cancer and psoriasis; detecting or identifying a HDAC in a biological sample comprising detecting or measuring the formation of a complex between a labelled compound as defined in claim (I) and a HDAC ORTHO-MCNEIL PHARMACEUTICAL INC. 2005-05-19 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 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-20050107384-A1 to inhibit proliferative conditions, such as cancer and psoriasis; detecting or identifying a HDAC in a biological sample comprising detecting or measuring the formation of a complex between a labelled compound as defined in claim (I) and a HDAC HDAC1, HDAC11, HDAC5 DRD3 2799/4885DRD1 3458/4885KDM4E 208/4885
US-20050171347-A1 Sulfonylamino-derivatives as novel inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 DRD3 1983/4885DRD1 2611/4885KDM4E 68/4885
US-20050222414-A1 N-(4-methylphenyl)-4-[4-[[(phenylmethoxy)amino]carbonyl]phenyl]-1-piperazinecarboxamide; anticarcinogenic, antiproliferative agent; ovarian carcinoma, psoriasis; gene transcription control RELA, NFE2, HDAC1 DRD3 3033/4885DRD1 3189/4885KDM4E 89/4885
US-20130303506-A1 AMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, DOT1L DRD3 2878/4885DRD1 3367/4885KDM4E 65/4885
US-20050113373-A1 medicine to inhibit proliferative conditions, such as cancer and psoriasis; detecting or identifying a histone deactylase (HDAC) in a biological sample HDAC1, HDAC11, HDAC4 DRD3 3395/4885DRD1 3822/4885KDM4E 112/4885
US-20140038979-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 DRD3 2335/4885DRD1 3094/4885KDM4E 58/4885
US-20150065478-A1 Amino-Derivatives As Novel Inhibitors Of Histone Deacetylase HDAC1, HDAC11, DOT1L DRD3 2878/4885DRD1 3367/4885KDM4E 65/4885
US-20050119250-A1 Antiproliferative agents HDAC1, HDAC11, MKI67 DRD3 4180/4885DRD1 4267/4885KDM4E 250/4885
US-20050148613-A1 Carbonylamino-derivatives as novel inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 DRD3 2320/4885DRD1 2912/4885KDM4E 66/4885
US-20050165016-A1 used to inhibit proliferative conditions, such as cancer and psoriasis, with improved bioavailability and stability HDAC1, HDAC11, HDAC9 DRD3 3990/4885DRD1 3808/4885KDM4E 127/4885
US-20070142393-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 DRD3 2335/4885DRD1 3094/4885KDM4E 58/4885

“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.