SCHEMBL5060871

SCHEMBL5060871

N#Cc1ccc2[nH]c(CN3CCN(c4ccccc4)CC3)cc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 18/20 1.00
DRD3 P35462 18/20 1.00
DRD2 P14416 17/20 1.00
HTR1A P08908 4/20 0.61
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
OPRK1 P41145 1/20 0.48
HRH4 Q9H3N8 1/20 0.48

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
SCHEMBL7504936 0.91 DRD4 (1.00) DRD4DRD3DRD2HTR1AHRH4
SCHEMBL30041650 0.88 DRD2 (0.79) DRD4DRD3DRD2HTR1AADRA2A
SCHEMBL23932544 0.88 DRD2 (0.79) DRD4DRD3DRD2HTR1AADRA2A
SCHEMBL5065047 0.88 DRD4 (1.00) DRD4DRD3DRD2HTR1AADRA2A
SCHEMBL28962388 0.83 DRD4 (0.72) DRD4DRD3DRD2HTR1AADRA2A
SCHEMBL8682915 0.82 HRH4 (0.69) DRD4DRD3DRD2HTR1AHRH4
SCHEMBL30041328 0.82 HRH4 (0.69) DRD4DRD3DRD2HTR1AHRH4
SCHEMBL5021447 0.79 DRD4 (0.65) DRD4DRD3DRD2HTR1AADRA2A
SCHEMBL7504732 0.75 DRD2 (1.00) DRD4DRD3DRD2HTR1A
SCHEMBL7495498 0.75 DRD2 (1.00) DRD4DRD3DRD2HTR1A

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 11 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
EP-1222167-A2 METHOD FOR PRODUCING INDOLE DERIVATIVES ON A SOLID PHASE MERCK PATENT GmbH (DE) 2002-07-17 EP disclosed
WO-2001023353-A2 METHOD FOR PRODUCING INDOLE DERIVATIVES ON A SOLID PHASE MERCK PATENT GMBH (DE) 2001-04-05 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 (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 1/4885DRD3 8/4885DRD2 6/4885
US-20130018056-A1 METHOD OF TREATMENT FOR MENTAL DISORDERS DRD4, HTR4, SLC6A3 DRD4 1/4885DRD3 8/4885DRD2 6/4885
US-20190022091-A1 METHOD OF TREATMENT FOR MENTAL DISORDERS DRD4, HTR4, SLC6A3 DRD4 1/4885DRD3 8/4885DRD2 6/4885
US-20120115879-A1 METHOD OF TREATMENT FOR MENTAL DISORDERS DRD4, HTR4, SLC6A3 DRD4 1/4885DRD3 8/4885DRD2 6/4885
US-20160129000-A1 METHOD OF TREATMENT FOR MENTAL DISORDERS DRD4, HTR4, SLC6A3 DRD4 1/4885DRD3 8/4885DRD2 6/4885

“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.