SCHEMBL6822326

SCHEMBL6822326

Nc1c[c]cc(C(=O)NCC2CCc3ccccc3C2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 3/20 0.43
NPY5R Q15761 3/20 0.43
MCHR1 Q99705 2/20 0.40
SCN9A Q15858 2/20 0.39
SCN3A Q9NY46 2/20 0.39
SCN4A P35499 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
SCN5A Q14524 1/20 0.37
OPRM1 P35372 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
PRMT5 O14744 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSK P43235 1/20 0.37
F2 P00734 1/20 0.37

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
SCHEMBL5846762 0.78 P2RX7 (0.41) NPY5RMTNR1AMTNR1BF2GBA1
SCHEMBL6881353 0.74 NPY1R (0.49) NPY1RNPY5RSCN9ASCN3ASCN4A
SCHEMBL18869925 0.73 NPY1R (0.41) NPY1RNPY5RSCN9ASCN3ASCN4A
SCHEMBL2750456 0.73 THRB (0.51) PRMT5NAMPTMEN1KMT2A
SCHEMBL17333862 0.72 LIPG (0.49) NPY1RNPY5RSCN9ASCN3ASCN4A
SCHEMBL17928110 0.71 NPY1R (0.41) NPY1RNPY5RSCN9ASCN3ASCN4A
SCHEMBL5847828 0.70 HDAC6 (0.53)
SCHEMBL12422869 0.69 ADRA1D (0.58) NPY1RNPY5RMTNR1AMTNR1BADRA1D
SCHEMBL17333784 0.68 LIPG (0.47) NPY1RNPY5RSCN9ASCN3ASCN4A
SCHEMBL7462647 0.68 TACR1 (0.52) PRMT5MEN1KMT2A

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
EP-1292579-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2003-03-19 EP claimed
EP-1274676-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 1,4-QUINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2003-01-15 EP claimed
US-20020032174-A1 Polycyclic aryl and heteroaryl substituted 4-pyridones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2002-03-14 US claimed
WO-2001087854-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO claimed
WO-2001087852-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL URACILS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO claimed
WO-2001079155-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 1,4-QUINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-10-25 WO claimed
US-20040171839-A1 Polycyclic aryl and heteroaryl substituted 1, 4-quinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-09-02 US disclosed
EP-1274676-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 1,4-QUINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2003-01-15 EP disclosed
EP-1268428-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 4-PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2003-01-02 EP disclosed
WO-2001087852-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL URACILS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO disclosed
WO-2001079155-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 1,4-QUINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-10-25 WO disclosed
WO-2001077079-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 4-PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-10-18 WO disclosed
WO-2001068605-A1 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED BENZENES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-09-20 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 (2 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-20040171839-A1 Polycyclic aryl and heteroaryl substituted 1, 4-quinones useful for selective inhibition of the coagulation cascade TFPI, SERPINC1, F2 NPY1R 2549/4885NPY5R 2449/4885MCHR1 4596/4885
US-20020032174-A1 Polycyclic aryl and heteroaryl substituted 4-pyridones useful for selective inhibition of the coagulation cascade TFPI, PLAT, TFPI2 NPY1R 2948/4885NPY5R 1942/4885MCHR1 4687/4885

“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.