SCHEMBL5402061

SCHEMBL5402061

O=C(NC1CCN(Cc2ccccc2)CC1)C(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 13/20 0.68
CHRM2 P08172 1/20 0.65
CHRM1 P11229 1/20 0.65
CHRM3 P20309 1/20 0.65
DRD4 P21917 2/20 0.64
DRD2 P14416 1/20 0.64
DRD3 P35462 1/20 0.64
KMT2A Q03164 1/20 0.64
SLC6A12 P48065 1/20 0.63
TMEM97 Q5BJF2 1/20 0.63
MCHR1 Q99705 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
DPP7 Q9UHL4 1/20 0.62

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
SCHEMBL6865672 0.92 DRD4 (0.65) SIGMAR1CHRM2CHRM1CHRM3DRD4
SCHEMBL4390012 0.92 DRD4 (0.65) SIGMAR1CHRM2CHRM1CHRM3DRD4
SCHEMBL18658299 0.88 SIGMAR1 (0.65) SIGMAR1DRD3SLC6A12TMEM97MCHR1
SCHEMBL13003260 0.86 SIGMAR1 (0.68) SIGMAR1CHRM2CHRM1CHRM3DRD4
SCHEMBL18658336 0.86 SIGMAR1 (0.71) SIGMAR1CHRM2CHRM1CHRM3KMT2A
SCHEMBL6712413 0.85 CHRM2 (0.66) SIGMAR1CHRM2CHRM1CHRM3DRD4
SCHEMBL14831782 0.84 UBE2M (0.53) SIGMAR1CHRM2CHRM1CHRM3DRD4
SCHEMBL20179639 0.84 CYP2D6 (0.50) SIGMAR1CHRM2CHRM1CHRM3DRD4
SCHEMBL2425554 0.84 SIGMAR1 (0.78) SIGMAR1DRD4DRD2DRD3KMT2A
SCHEMBL17294676 0.84 CHRM3 (0.72) SIGMAR1CHRM2CHRM1CHRM3DRD4

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-6861423-B2 Methods of treating p38 kinase-mediated disorders with pyrido[2,3-d]pyrimidin-7-one compounds SYNTEX (U.S.A.) LLC (US) 2005-03-01 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 EP disclosed
US-20030153586-A1 7-oxo-pyridopyrimidines (I) SYNTEX (U.S.A) LLC 2003-08-14 US disclosed
EP-1315726-A1 7- OXO PYRIDOPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION F. HOFFMANN-LA ROCHE AG (CH) 2003-06-04 EP disclosed
US-6506749-B2 Mitogen-activated protein kinases inhibitors SYNTEX (U.S.A.) LLC 2003-01-14 US disclosed
US-20020137756-A1 Mitogen-activated protein kinases inhibitors SYNTEX (U.S.A.) LLC 2002-09-26 US disclosed
WO-2002018380-A1 7-OXO PYRIDOPYRIMIDINES AS INHIBITORS OF A CELLULAR PROLIFERATION F. HOFFMANN-LA ROCHE AG (CH) 2002-03-07 WO disclosed
US-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
WO-2000071171-A2 SIGMA-1 LIGANDS FOR DETERMINING CARCINOMA PROLIFERATIVE STATUS WAKE FOREST UNIVERSITY (US) 2000-11-30 WO disclosed
EP-0915888-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-05-19 EP disclosed
WO-1997040051-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-30 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 (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-20020137756-A1 Mitogen-activated protein kinases inhibitors MAPK1, MAP3K1, CDK1 SIGMAR1 2442/4885CHRM2 3694/4885CHRM1 3003/4885
US-20030153586-A1 7-oxo-pyridopyrimidines (I) AR, PARP1, DPYD SIGMAR1 2572/4885CHRM2 2534/4885CHRM1 1237/4885
US-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA SIGMAR1 453/4885CHRM2 2186/4885CHRM1 740/4885

“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.