SCHEMBL7703066

SCHEMBL7703066

COc1ccccc1N1CCN(CCNC(=O)c2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.85
DRD3 P35462 7/20 0.85
DRD4 P21917 6/20 0.85
HTR1A P08908 4/20 0.85
ADRA1A P35348 2/20 0.83
SLC6A2 P23975 1/20 0.77
SLC6A4 P31645 1/20 0.77
ADRA2A P08913 1/20 0.77
KCNH2 Q12809 1/20 0.75
ADRA1D P25100 1/20 0.73
ADRA1B P35368 1/20 0.73

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
SCHEMBL14761584 0.93 DRD2 (0.94) DRD2DRD3DRD4HTR1AADRA1A
SCHEMBL14761722 0.92 DRD2 (1.00) DRD2DRD3DRD4HTR1AADRA1A
SCHEMBL10911336 0.92 DRD2 (1.00) DRD2DRD3DRD4HTR1AADRA1A
SCHEMBL14761605 0.91 DRD2 (0.98) DRD2DRD3DRD4HTR1AADRA1A
SCHEMBL9652182 0.87 DRD2 (0.72) DRD2DRD3DRD4HTR1AADRA1A
SCHEMBL17194866 0.86 DRD2 (1.00) DRD2DRD3DRD4HTR1AADRA1A
SCHEMBL10910646 0.85 DRD2 (0.94) DRD2DRD3DRD4HTR1AADRA1A
SCHEMBL10911858 0.85 DRD2 (0.85) DRD2DRD3DRD4HTR1AADRA1A
SCHEMBL8498530 0.85 DRD2 (0.64) DRD2DRD3DRD4HTR1AADRA1A
SCHEMBL9652784 0.84 DRD2 (0.72) DRD2DRD4HTR1AADRA1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59055878-A None JP disclosed
US-20130064770-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE HEALTHCARE LIMITED (GB) 2013-03-14 US disclosed
US-20130064770-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE HEALTHCARE LIMITED (GB) 2013-03-14 US disclosed
WO-2011150183-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE HEALTHCARE LIMITED (GB) 2011-12-01 WO disclosed
US-6344458-B1 CENTRAL NERVOUS SYSTEM DISORDERS AMERICAN HOME PRODUCTS CORPORATION 2002-02-05 US disclosed
EP-0104614-B1 PHENYLPIPERAZINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME Chugai Seiyaku Kabushiki Kaisha (JP) 1986-12-30 EP disclosed
US-4560686-A Method for treating circulatory diseases by using (2-lower alkoxyphenyl)piperazine derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1985-12-24 US disclosed
EP-0104614-A1 Phenylpiperazine derivatives and process for producing the same Chugai Seiyaku Kabushiki Kaisha (JP) 1984-04-04 EP disclosed
JP-S5955878-A NOVEL PHENYLPIPERAZINE DERIVATIVE CHUGAI PHARMACEUT CO LTD 1984-03-31 JP 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-20130064770-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF HTR5A, HTR3B, HTR1A DRD2 63/4885DRD3 102/4885DRD4 109/4885

“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.