SCHEMBL5065047

SCHEMBL5065047

N#Cc1ccc2[nH]c(CN3CCN(c4ccc(F)cc4)CC3)cc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 15/20 1.00
DRD2 P14416 14/20 1.00
DRD3 P35462 14/20 1.00
KDM4E B2RXH2 1/20 0.53
TP53 P04637 1/20 0.53
HTR1A P08908 2/20 0.52
ADRA2A P08913 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
OPRK1 P41145 1/20 0.52

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
SCHEMBL5060871 0.88 DRD4 (1.00) DRD4DRD2DRD3HTR1AADRA2A
SCHEMBL6793465 0.87 DRD4 (0.76) DRD4DRD2DRD3KDM4EHTR1A
SCHEMBL23932544 0.86 DRD2 (0.79) DRD4DRD2DRD3HTR1AADRA2A
SCHEMBL30041650 0.86 DRD2 (0.79) DRD4DRD2DRD3HTR1AADRA2A
SCHEMBL5021448 0.80 DRD4 (0.66) DRD4DRD2DRD3KDM4EHTR1A
SCHEMBL7504936 0.79 DRD4 (1.00) DRD4DRD2DRD3HTR1A
SCHEMBL28962388 0.77 DRD4 (0.72) DRD4DRD2DRD3KDM4EHTR1A
SCHEMBL7495498 0.76 DRD2 (1.00) DRD4DRD2DRD3HTR1A
SCHEMBL4823536 0.73 DRD4 (0.59) DRD4DRD2DRD3HTR1AADRA2A
SCHEMBL6781864 0.71 DRD2 (0.58) DRD4DRD2DRD3KDM4EHTR1A

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
US-20190022091-A1 METHOD OF TREATMENT FOR MENTAL DISORDERS SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2019-01-24 US disclosed
US-9827242-B2 Method of treatment for mental disorders SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-11-28 US disclosed
US-20160193205-A1 METHOD OF TREATMENT FOR MENTAL DISORDERS SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2016-07-07 US disclosed
US-20160129000-A1 METHOD OF TREATMENT FOR MENTAL DISORDERS SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2016-05-12 US disclosed
US-9259423-B2 Method of treatment for mental disorders SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2016-02-16 US disclosed
US-20130018056-A1 METHOD OF TREATMENT FOR MENTAL DISORDERS DAINIPPON SUMITOMO PHARMA CO., LTD. 2013-01-17 US disclosed
US-8258139-B2 Method of treatment for mental disorders DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-09-04 US disclosed
WO-2012063513-A1 METHOD OF TREATMENT FOR MENTAL DISORDERS DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-18 WO disclosed
US-20120115879-A1 METHOD OF TREATMENT FOR MENTAL DISORDERS Sumitomo Pharma Co., Ltd. (JP) 2012-05-10 US 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 (5 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-20160193205-A1 METHOD OF TREATMENT FOR MENTAL DISORDERS DRD4, HTR4, SLC6A3 DRD4 1/4885DRD2 6/4885DRD3 8/4885
US-20130018056-A1 METHOD OF TREATMENT FOR MENTAL DISORDERS DRD4, HTR4, SLC6A3 DRD4 1/4885DRD2 6/4885DRD3 8/4885
US-20190022091-A1 METHOD OF TREATMENT FOR MENTAL DISORDERS DRD4, HTR4, SLC6A3 DRD4 1/4885DRD2 6/4885DRD3 8/4885
US-20120115879-A1 METHOD OF TREATMENT FOR MENTAL DISORDERS DRD4, HTR4, SLC6A3 DRD4 1/4885DRD2 6/4885DRD3 8/4885
US-20160129000-A1 METHOD OF TREATMENT FOR MENTAL DISORDERS DRD4, HTR4, SLC6A3 DRD4 1/4885DRD2 6/4885DRD3 8/4885

“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.