SCHEMBL4306478

SCHEMBL4306478

CN1CCN(c2cccc3[nH]ccc23)CC1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.69
HTR6 P50406 1/20 0.69
DRD2 P14416 1/20 0.61
DRD4 P21917 1/20 0.61
DRD3 P35462 1/20 0.61
GAA P10253 6/20 0.60
MAPT P10636 3/20 0.56
GOT1 P17174 8/20 0.54
RECQL P46063 1/20 0.54
HTR1A P08908 2/20 0.52
MEN1 O00255 1/20 0.49
GFER P55789 1/20 0.49
KMT2A Q03164 1/20 0.49
PHGDH O43175 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
Hydrochloric Acid SCHEMBL5698349 0.98 ADRB1 (0.67) ADRB1HTR6DRD2DRD4DRD3
SCHEMBL20581870 0.84 ADRB1 (0.75) ADRB1HTR6DRD2DRD4DRD3
SCHEMBL8861994 0.83 ADRB1 (0.73) ADRB1HTR6DRD2DRD4DRD3
SCHEMBL30160211 0.83 ADRB1 (0.73) ADRB1HTR6DRD2DRD4DRD3
SCHEMBL1779463 0.83 DRD2 (0.57) ADRB1HTR6DRD2DRD4DRD3
SCHEMBL23102103 0.83 DRD2 (0.68) ADRB1HTR6DRD2DRD4DRD3
SCHEMBL23102113 0.83 ADRB1 (0.63) ADRB1HTR6DRD2DRD4DRD3
SCHEMBL1105118 0.83 ADRB1 (0.63) ADRB1HTR6DRD2DRD4DRD3
SCHEMBL27608171 0.81 GOT1 (0.63) ADRB1HTR6DRD2DRD4DRD3
SCHEMBL1012802 0.81 ADRB1 (1.00) ADRB1HTR6DRD2DRD4DRD3

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2658844-B1 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI SA (FR) 2016-10-26 EP disclosed
US-9133168-B2 Pyrimidine derivatives, preparation thereof, and pharmaceutical use thereof as akt(pkb) phosphorylation inhibitors SANOFI (FR) 2015-09-15 US disclosed
US-20130274253-A1 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI (FR) 2013-10-17 US disclosed
US-7524839-B2 Compounds, their use and preparation BIOVITRUM AM (PUBL.) 2009-04-28 US disclosed
US-7524839-B2 Compounds, their use and preparation BIOVITRUM AM (PUBL.) 2009-04-28 US disclosed
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2008-09-18 US disclosed
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2008-09-18 US disclosed
US-7375222-B2 2,4,6-Triamino-1,3,5-triazine derivative ASTELLAS PHARMA INC. (JP) 2008-05-20 US disclosed
US-7375222-B2 2,4,6-Triamino-1,3,5-triazine derivative ASTELLAS PHARMA INC. (JP) 2008-05-20 US disclosed
US-7220765-B2 Derivatives of 2-arylimino-2,3-dihydrothiazoles, their preparation processes and their therapeutic use SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (SCRAS) (FR) 2007-05-22 US disclosed
US-20050256106-A1 Novel compounds, their use and preparation BIOVITRUM AB, A STOCKHOLM, SWEDEN CORPORATION 2005-11-17 US disclosed
US-20050176705-A1 Compounds useful in the treatment of cns disorders SMITHKLINE BEECHAM P.L.C. (GB) 2005-08-11 US disclosed
EP-1335722-A2 COMPOUNDS USEFUL IN THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 2003-08-20 EP disclosed
EP-1326830-A1 2-, 3-, 4-, OR 5-SUBSTITUTED-N1-(BENZENSULFONYL)INDOLES AND THEIR USE IN THERAPY BIOVITRUM AB (SE) 2003-07-16 EP disclosed
US-20020165251-A1 Novel compounds, their use and preparation PROXIMAGEN NEUROSCIENCE PLC (GB) 2002-11-07 US disclosed
WO-2002041889-A2 INDOLSULFONYL COMPOUNDS USEFUL IN THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-05-30 WO disclosed
WO-2002032863-A1 2-, 3-, 4-, OR 5-SUBSTITUTED-N1-(BENZENSULFONYL)INDOLES AND THEIR USE IN THERAPY BIOVITRUM AB (SE) 2002-04-25 WO disclosed
US-6255306-B1 PSYCHOLOGICAL DISORDERS MACOR JOHN E (US) 2001-07-03 US disclosed
EP-0773942-A1 4-INDOLE DERIVATIVES AS SEROTONIN AGONISTS AND ANTAGONISTS PFIZER INC. (US) 1997-05-21 EP disclosed
WO-1996003400-A1 4-INDOLE DERIVATIVES AS SEROTONIN AGONISTS AND ANTAGONISTS PFIZER INC. (US) 1996-02-08 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-20130274253-A1 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS TYMP, PIK3CA, PDPK1 ADRB1 2624/4885HTR6 2027/4885DRD2 3303/4885
US-20050176705-A1 Compounds useful in the treatment of cns disorders SLC18A2, CNR2, TPH2 ADRB1 346/4885HTR6 22/4885DRD2 98/4885
US-20020165251-A1 Novel compounds, their use and preparation HTR6, HTR1A, HTR5A ADRB1 72/4885HTR6 1/4885DRD2 51/4885
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE KCNT1, KCNMA1, KCNJ2 ADRB1 3487/4885HTR6 1881/4885DRD2 1625/4885
US-20050256106-A1 Novel compounds, their use and preparation HTR6, HTR3C, HTR1A ADRB1 80/4885HTR6 1/4885DRD2 50/4885

“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.