SCHEMBL3865622

SCHEMBL3865622

CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 0.67
ADRA1D P25100 20/20 0.67
ADRA1A P35348 20/20 0.67
ADRA1B P35368 20/20 0.67

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
SCHEMBL5102068 0.85 DRD2 (0.54) DRD2ADRA1DADRA1AADRA1B
SCHEMBL3865823 0.82 KDM1A (0.52) DRD2
SCHEMBL13866645 0.81 DRD2 (1.00) DRD2ADRA1DADRA1AADRA1B
SCHEMBL13866646 0.81 DRD2 (1.00) DRD2ADRA1DADRA1AADRA1B
SCHEMBL13866670 0.80 ADRA1D (1.00) DRD2ADRA1DADRA1AADRA1B
SCHEMBL3863575 0.80 ADRA1D (1.00) DRD2ADRA1DADRA1AADRA1B
SCHEMBL13866668 0.80 ADRA1D (1.00) DRD2ADRA1DADRA1AADRA1B
SCHEMBL13866697 0.80 ADRA1D (1.00) DRD2ADRA1DADRA1AADRA1B
SCHEMBL13866669 0.80 ADRA1D (1.00) DRD2ADRA1DADRA1AADRA1B
SCHEMBL20129730 0.80 CKS1B (0.51) DRD2ADRA1DADRA1AADRA1B

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 15 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-7517885-B2 Substituted [4-(4-phenyl-piperazin-1-yl)-cyclohexyl]-urea compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-14 US disclosed
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-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-20070123542-A1 Substituted [4-(4-phenyl-piperazin-1-yl)-cyclohexyl]-urea compounds CHIU GEORGE 2007-05-31 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
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-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 DRD2 662/4885ADRA1D 1/4885ADRA1A 2/4885
US-20070093500-A1 Substituted isoindole-1,3-diones ADRA1D, ADRA1A, ADRB1 DRD2 94/4885ADRA1D 1/4885ADRA1A 2/4885

“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.