SCHEMBL3865823

SCHEMBL3865823

CC(C)(C)OC(=O)NC1CCC(N2CCN(c3ccccc3)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.52
MAOB P27338 1/20 0.52
DRD2 P14416 6/20 0.50
DRD3 P35462 3/20 0.50
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
GPR119 Q8TDV5 1/20 0.50
CKS1B P61024 1/20 0.50
SKP1 P63208 1/20 0.50
SKP2 Q13309 1/20 0.50
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
OGFRL1 Q5TC84 1/20 0.49
KCNA3 P22001 1/20 0.48
KDM4E B2RXH2 3/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 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
SCHEMBL17830852 0.87 CKS1B (0.61) KDM1AMAOBDRD2DRD3KMT2A
SCHEMBL30817389 0.85 MEN1 (0.60) DRD2KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL12794288 0.84 CTSK (0.52) KDM1AMAOBDRD2KMT2AL3MBTL1
SCHEMBL12794285 0.84 CTSK (0.52) KDM1AMAOBDRD2KMT2AL3MBTL1
SCHEMBL13999223 0.83 KDM1A (0.58) KDM1AMAOBDRD2KMT2AL3MBTL1
SCHEMBL3884233 0.83 DRD2 (0.55) DRD2GPR119CKS1BSKP1SKP2
SCHEMBL23689558 0.83 KMT2A (0.61) KDM1AMAOBDRD2DRD3KMT2A
SCHEMBL3865622 0.82 DRD2 (0.67) DRD2
SCHEMBL8470810 0.81 DRD2 (0.53) KDM1AMAOBDRD2DRD3KMT2A
SCHEMBL8470808 0.81 DRD2 (0.53) KDM1AMAOBDRD2DRD3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517885-B2 Substituted [4-(4-phenyl-piperazin-1-yl)-cyclohexyl]-urea compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-14 US disclosed
US-7459557-B2 Substituted isoindole-1,3-diones JANSSEN PHARMACEUTICA N.V. (BG) 2008-12-02 US disclosed
US-7459557-B2 Substituted isoindole-1,3-diones JANSSEN PHARMACEUTICA N.V. (BG) 2008-12-02 US disclosed
US-20070123542-A1 Substituted [4-(4-phenyl-piperazin-1-yl)-cyclohexyl]-urea compounds CHIU GEORGE 2007-05-31 US disclosed
US-20070093500-A1 Substituted isoindole-1,3-diones JANSSEN PHARMACEUTICA, N.V. (BE) 2007-04-26 US disclosed
US-20070093500-A1 Substituted isoindole-1,3-diones JANSSEN PHARMACEUTICA, N.V. (BE) 2007-04-26 US disclosed
WO-2007005214-A1 SUBSTITUTED {4(4-PHENYL-PIPERAZIN-1YL)-CYCLOHEXYL}-UREA COMPOUNDS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-11 WO disclosed
WO-2007001818-A2 SUBSTITUTED ISOINDOLE-1,3-DIONES JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-04 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-20070123542-A1 Substituted [4-(4-phenyl-piperazin-1-yl)-cyclohexyl]-urea compounds ADRA1D, ADRA1A, ADRB1 KDM1A 1175/4885MAOB 999/4885DRD2 662/4885
US-20070093500-A1 Substituted isoindole-1,3-diones ADRA1D, ADRA1A, ADRB1 KDM1A 1981/4885MAOB 411/4885DRD2 94/4885

“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.