SCHEMBL9939667

SCHEMBL9939667

O=C(/N=C(\Nc1cccc(O)n1)NC1CCCOC1)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.45
RXFP1 Q9HBX9 1/20 0.39
NAMPT P43490 3/20 0.38
CXCR2 P25025 1/20 0.35
CNR1 P21554 2/20 0.35
P2RX3 P56373 1/20 0.34
EGLN1 Q9GZT9 1/20 0.33
GSK3B P49841 1/20 0.33
KCNH2 Q12809 1/20 0.33
EPHX1 P07099 1/20 0.33
BTK Q06187 1/20 0.33
GRM5 P41594 1/20 0.33
PTGES O14684 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL9939488 0.89 RXFP1 (0.44) CNR2RXFP1CNR1EPHX1MAPK1
SCHEMBL9939560 0.88 CNR2 (0.41) CNR2RXFP1NAMPTCNR1GRM5
SCHEMBL9939843 0.88 EPHX2 (0.38) CNR2NAMPTGSK3BKCNH2
SCHEMBL9939791 0.88 CNR2 (0.41) CNR2NAMPTEGLN1GSK3BKCNH2
SCHEMBL9939786 0.80 RXFP1 (0.39) RXFP1CNR1EPHX1GRM5PTGES
SCHEMBL9939795 0.77 NPC1 (0.41) MAPK1
SCHEMBL9939798 0.77 NPC1 (0.39) KCNH2GRM5MAPK1
SCHEMBL9939747 0.77 EPHX2 (0.41)
SCHEMBL16621975 0.76 ACKR3 (0.42) RXFP1CNR1
SCHEMBL9939800 0.76 CNR2 (0.38) CNR2GSK3BKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9370507-B2 Pyridonyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2016-06-21 US disclosed
US-9370507-B2 Pyridonyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2016-06-21 US disclosed
EP-2648710-B1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORP (US) 2016-06-15 EP disclosed
US-20150335625-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-11-26 US disclosed
US-20150335625-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-11-26 US disclosed
US-9000014-B2 Pyridonyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-04-07 US disclosed
US-9000014-B2 Pyridonyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-04-07 US disclosed
WO-2012078869-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION (US) 2012-06-14 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 (1 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-20150335625-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1B CNR2 4140/4885RXFP1 3462/4885NAMPT 297/4885

“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.