SCHEMBL659584

SCHEMBL659584

CCCCCCn1nc(C(F)(F)F)nc1CNC(=O)N1CCN(C(C)c2ccc(F)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.40
FAAH O00519 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
MTOR P42345 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KCNK3 O14649 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
SMPD1 P17405 1/20 0.36
P2RY12 Q9H244 1/20 0.36
DRD2 P14416 4/20 0.35
DRD3 P35462 4/20 0.35

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
SCHEMBL12506428 0.74 ASAH1 (0.39) CNR1CNR2SMPD1TP53
SCHEMBL287251 0.72 TRPV1 (0.50) TRPV1
SCHEMBL659862 0.71 TRPV1 (0.47) DRD2DRD3TRPV1
SCHEMBL10093681 0.68 CNR1 (0.34) CNR1CNR2SMPD1
SCHEMBL659103 0.67 TRPV1 (0.64) TRPV1
SCHEMBL21663686 0.67 CNR1 (0.72) CYP2D6MEN1KMT2ACNR1CNR2
Oxalic Acid SCHEMBL10934863 0.65 MAPK1 (0.59) MAPK1FAAHCYP3A4CYP2D6TSHR
Hydrochloric Acid SCHEMBL10936662 0.64 KMT2A (0.62) MAPK1FAAHCYP3A4CYP2D6TSHR
SCHEMBL10093686 0.64 TLR8 (0.34) SMN1; SMN2CNR1CNR2
SCHEMBL672150 0.63 ALDH1A1 (0.51) FAAHCYP2D6RAB9ACACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2606033-A1 SUBSTITUTED CYCLIC CARBOXAMIDE AND UREA DERIVATIVES AS LIGANDS OF THE VANILLOID RECEPTOR Grünenthal GmbH (DE) 2013-06-26 EP claimed
WO-2012022487-A1 SUBSTITUTED CYCLIC CARBOXAMIDE AND UREA DERIVATIVES AS LIGANDS OF THE VANILLOID RECEPTOR Grünenthal GmbH (DE) 2012-02-23 WO claimed
US-20120046301-A1 Substituted Cyclic Carboxamide and Urea Derivatives as Ligands of the Vanilloid Receptor GRUENENTHAL GMBH (DE) 2012-02-23 US claimed
EP-2606033-A1 SUBSTITUTED CYCLIC CARBOXAMIDE AND UREA DERIVATIVES AS LIGANDS OF THE VANILLOID RECEPTOR Grünenthal GmbH (DE) 2013-06-26 EP disclosed
WO-2012022487-A1 SUBSTITUTED CYCLIC CARBOXAMIDE AND UREA DERIVATIVES AS LIGANDS OF THE VANILLOID RECEPTOR Grünenthal GmbH (DE) 2012-02-23 WO disclosed
US-20120046301-A1 Substituted Cyclic Carboxamide and Urea Derivatives as Ligands of the Vanilloid Receptor GRUENENTHAL GMBH (DE) 2012-02-23 US 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-20120046301-A1 Substituted Cyclic Carboxamide and Urea Derivatives as Ligands of the Vanilloid Receptor TRPV1, CNR1, CNR2 MAPK1 1437/4885FAAH 169/4885CYP3A4 1298/4885

“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.