SCHEMBL4274469

SCHEMBL4274469

CCCN1CCN(c2ccc(Br)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.68
SIGMAR1 Q99720 1/20 0.68
KDM4E B2RXH2 2/20 0.57
GAA P10253 2/20 0.57
SLC6A2 P23975 4/20 0.52
SLC6A4 P31645 4/20 0.52
DRD4 P21917 1/20 0.51
MAPT P10636 1/20 0.49
RAD52 P43351 1/20 0.49
GFER P55789 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CHRNA7 P36544 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 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
SCHEMBL13321085 0.88 KDM4E (0.69) DRD2SIGMAR1KDM4EGAASLC6A2
SCHEMBL14852368 0.86 KDM4E (0.72) DRD2SIGMAR1KDM4EGAASLC6A2
SCHEMBL578273 0.85 GAA (0.67) DRD2SIGMAR1KDM4EGAASLC6A2
SCHEMBL13079491 0.83 KDM4E (0.78) DRD2SIGMAR1KDM4EGAADRD4
SCHEMBL81904 0.83 DRD2 (0.70) DRD2SIGMAR1KDM4EGAAMAPT
SCHEMBL374548 0.81 KDM4E (0.73) DRD2SIGMAR1KDM4EGAAMAPT
SCHEMBL5185973 0.81 CYP2D6 (0.54) DRD2SIGMAR1KDM4EGAASLC6A2
SCHEMBL31744852 0.81 CYP2D6 (0.60) DRD2SLC6A2SLC6A4DRD4MAPT
SCHEMBL5915112 0.81 DRD2 (0.68) DRD2SIGMAR1KDM4EGAASLC6A2
SCHEMBL26508401 0.81 DRD2 (0.68) DRD2SIGMAR1KDM4EGAAMAPT

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-9353107-B2 3-(pyrazolyl)-1H-pyrrolo[2,3-b]pyridine derivatives as kinase inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2016-05-31 US disclosed
US-20150336949-A1 3-(Pyrazolyl)-1H-Pyrrolo[2,3-b]Pyridine Derivatives as Kinase Inhibitors Um Pharmauji Sdn. Bhd. (MY) 2015-11-26 US disclosed
WO-2013051672-A1 MEDICINAL AGENT COMPRISING THIAZOLIDINE DERIVATIVE OR SALT THEREOF AS ACTIVE INGREDIENT 株式会社ヤクルト本社 (JP) 2013-04-11 WO disclosed
US-7622056-B2 High dielectric anisotropy liquid crystal compound and composition containing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2009-11-24 US disclosed
US-7622056-B2 High dielectric anisotropy liquid crystal compound and composition containing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2009-11-24 US disclosed
US-7622056-B2 High dielectric anisotropy liquid crystal compound and composition containing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2009-11-24 US disclosed
US-20080135803-A1 High dielectric anisotropy liquid crystal compound and composition containing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE DAILY POLYMER CORPORATION 2008-06-12 US disclosed
US-20080135803-A1 High dielectric anisotropy liquid crystal compound and composition containing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE DAILY POLYMER CORPORATION 2008-06-12 US disclosed
US-20080135803-A1 High dielectric anisotropy liquid crystal compound and composition containing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE DAILY POLYMER CORPORATION 2008-06-12 US disclosed
US-20050256308-A1 Spiro compounds, medicinal compositions containing the same and intermediates of the compounds DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2005-11-17 US disclosed
EP-1559707-A1 SPIRO COMPOUNDS, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES OF THE COMPOUNDS Dainippon Pharmaceutical Co., Ltd. (JP) 2005-08-03 EP 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 (3 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-20050256308-A1 Spiro compounds, medicinal compositions containing the same and intermediates of the compounds ESRRA, ESR1, BRCA1 DRD2 1789/4885SIGMAR1 222/4885KDM4E 3394/4885
US-20080135803-A1 High dielectric anisotropy liquid crystal compound and composition containing the same KIF23, PIEZO1, KIFC1 DRD2 1075/4885SIGMAR1 3790/4885KDM4E 621/4885
US-20150336949-A1 3-(Pyrazolyl)-1H-Pyrrolo[2,3-b]Pyridine Derivatives as Kinase Inhibitors MAP3K3, MAP3K1, MAP3K6 DRD2 4843/4885SIGMAR1 2751/4885KDM4E 1504/4885

“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.