SCHEMBL5095004

SCHEMBL5095004

N=C(N)NCCNC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3cccc4ccccc34)CC2)C1=O

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.70
DRD2 P14416 2/20 0.51
DRD3 P35462 2/20 0.51
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
OPRK1 P41145 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
NPC1L1 Q9UHC9 14/20 0.49
DRD4 P21917 1/20 0.47
DDR1 Q08345 1/20 0.46

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
SCHEMBL7757070 0.97 OPRL1 (0.68) OPRL1DRD2DRD3OPRM1OPRD1
SCHEMBL5805489 0.94 OPRL1 (0.63) OPRL1DRD2DRD3OPRM1OPRD1
SCHEMBL5108205 0.92 OPRL1 (0.72) OPRL1DRD2DRD3OPRM1OPRD1
Hydrochloric Acid SCHEMBL7758893 0.91 OPRL1 (0.71) OPRL1DRD2DRD3OPRM1OPRD1
SCHEMBL5101780 0.90 OPRL1 (0.70) OPRL1DRD2DRD3OPRM1OPRD1
SCHEMBL7754138 0.90 OPRL1 (0.72) OPRL1DRD2DRD3OPRM1OPRD1
Hydrochloric Acid SCHEMBL7992890 0.89 OPRL1 (0.69) OPRL1DRD2DRD3OPRM1OPRD1
SCHEMBL7992795 0.89 OPRL1 (0.76) OPRL1DRD2DRD3OPRM1OPRD1
SCHEMBL7760247 0.89 OPRL1 (0.62) OPRL1DRD2DRD3OPRM1OPRD1
SCHEMBL7999901 0.89 OPRL1 (0.62) OPRL1DRD2DRD3OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6277991-B1 FOR TREATMENT OF MIGRAINE, NON-INSULIN DEPENDENT DIABETES MELLITUS, SEPSIS, INFLAMMATION, INCONTINENCE, VASOMOTOR DISTURBANCES SUCH AS HOT FLUSHES OR HOT FLASHES NOVO NORDISK A/S (DK) 2001-08-21 US claimed
EP-1080091-A1 NOVEL 1,3,8-TRIAZASPIRO[4.5]DECANONES WITH HIGH AFFINITY FOR OPIOID RECEPTOR SUBTYPES Novo Nordisk A/S (DK) 2001-03-07 EP claimed
WO-1999059997-A1 NOVEL 1,3,8-TRIAZASPIRO[4.5]DECANONES WITH HIGH AFFINITY FOR OPIOID RECEPTOR SUBTYPES NOVO NORDISK A/S (DK) 1999-11-25 WO claimed
US-20080287478-A1 Nociceptin Analogues and Uses Thereof ZEALAND PHARMA A/S (DK) 2008-11-20 US disclosed
US-6277991-B1 FOR TREATMENT OF MIGRAINE, NON-INSULIN DEPENDENT DIABETES MELLITUS, SEPSIS, INFLAMMATION, INCONTINENCE, VASOMOTOR DISTURBANCES SUCH AS HOT FLUSHES OR HOT FLASHES NOVO NORDISK A/S (DK) 2001-08-21 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-20080287478-A1 Nociceptin Analogues and Uses Thereof OPRL1, NPSR1, OPRK1 OPRL1 1/4885DRD2 753/4885DRD3 687/4885

“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.