SCHEMBL1365556

SCHEMBL1365556

COc1cccc(N2CC[N]CC2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.65
MAPT P10636 4/20 0.64
NPC1 O15118 2/20 0.64
KCNH2 Q12809 2/20 0.58
DRD2 P14416 1/20 0.58
MEN1 O00255 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
KMT2A Q03164 1/20 0.54
ALDH1A1 P00352 3/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 2/20 0.52
DHFR P00374 1/20 0.52
GFER P55789 1/20 0.51
TSHR P16473 1/20 0.50
C1S P09871 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.49

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
SCHEMBL11074672 0.87 ADRB1 (0.76) ADRB1MAPTNPC1KCNH2DRD2
SCHEMBL3051915 0.83 ADRB1 (0.71) ADRB1MAPTNPC1KCNH2DRD2
SCHEMBL23675047 0.83 ADRB1 (0.71) ADRB1MAPTNPC1KCNH2DRD2
SCHEMBL30255158 0.83 ADRB1 (0.71) ADRB1MAPTNPC1KCNH2DRD2
SCHEMBL3197670 0.83 ADRB1 (0.61) ADRB1MAPTNPC1KMT2AALDH1A1
SCHEMBL3035322 0.81 ADRB1 (0.69) ADRB1MAPTNPC1KCNH2DRD2
SCHEMBL30180110 0.81 ADRB1 (0.69) ADRB1MAPTNPC1KCNH2DRD2
SCHEMBL19212406 0.81 ADRB1 (0.69) ADRB1MAPTNPC1KCNH2DRD2
SCHEMBL7348990 0.81 TP53 (0.50) ADRB1MAPTNPC1KCNH2DRD2
SCHEMBL4671113 0.81 SLC6A2 (0.49) ADRB1MAPTNPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2388003-B1 Colchicine derivatives CALIFORNIA PACIFIC MEDICAL CENTER (US) 2021-12-29 EP claimed
EP-2388003-A2 Colchicine derivatives California Pacific Medical Center (US) 2011-11-23 EP claimed
JP-4699373-B2 2011-06-08 JP claimed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO claimed
EP-2051978-A2 ACETAMIDE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-04-29 EP claimed
US-20080280906-A1 Imidazolyl-Pyrimidine Compounds for Use in the Treatment of Proliferative Disorders ASTRAZENECA AB (SE) 2008-11-13 US claimed
EP-1912974-A1 IMIDAZOLYL-PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2008-04-23 EP claimed
US-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use WYETH (US) 2007-12-27 US claimed
WO-2007136875-A2 ACETAMIDE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-11-29 WO claimed
WO-2007015064-A1 IMIDAZOLYL-PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2007-02-08 WO claimed
US-6967216-B2 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by NP Y5 receptor ASTRAZENECA AB (SE) 2005-11-22 US claimed
WO-2005007076-A2 COLCHICINE DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2005-01-27 WO claimed
US-6825236-B2 ACTIVE AGAINST TUMORS IN MICE AND ARE GENERALLY WELL TOLERATED CALIFORNIA PACIFIC MEDICAL CENTER 2004-11-30 US claimed
US-20040204370-A1 COLCHICINE DERIVATIVES SUTTER WEST BAY HOSPITALS, DBA CALIFORNIA PACIFIC MEDICAL CENTER 2004-10-14 US claimed
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor ASTRAZENECA AB (SE) 2003-12-04 US claimed
EP-1278739-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR AstraZeneca AB (SE) 2003-01-29 EP claimed
WO-2001085714-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR ASTRAZENECA AB (SE) 2001-11-15 WO claimed
EP-0443568-B1 Fused thiophene derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-06-12 EP claimed
EP-0445811-B1 Nitrogen-containing heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-06-14 EP claimed
EP-0443568-A1 Fused thiophene derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-08-28 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use HCAR2, PCCA, MCCC2 ADRB1 1348/4885MAPT 4643/4885NPC1 1996/4885
US-20080280906-A1 Imidazolyl-Pyrimidine Compounds for Use in the Treatment of Proliferative Disorders CCNI, MKI67, TYMP ADRB1 4294/4885MAPT 3364/4885NPC1 1784/4885
US-20040204370-A1 COLCHICINE DERIVATIVES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, NAP1L4 ADRB1 180/4885MAPT 1398/4885NPC1 752/4885
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor NPY5R, NPY1R, NPY2R ADRB1 190/4885MAPT 1610/4885NPC1 2005/4885

“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.