SCHEMBL314110

SCHEMBL314110

CN1CCC2(CC=C(c3ccc(Cl)c(Cl)c3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.41
HRH4 Q9H3N8 2/20 0.38
QDPR P09417 1/20 0.38
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA1 P30542 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
AHR P35869 1/20 0.35
HTR2B P41595 1/20 0.35
SLC6A3 Q01959 1/20 0.34
NPFFR1 Q9GZQ6 1/20 0.34
NPFFR2 Q9Y5X5 1/20 0.34
NPC1 O15118 1/20 0.34
THRB P10828 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL314029 0.81 AHR (0.38) SLC6A2SLC6A4SIGMAR1AHRHTR2B
SCHEMBL314122 0.76 PTPN11 (0.41) HRH4NPC1RAB9A
SCHEMBL23484640 0.72 SUV39H2 (0.45) SLC6A4AHRSLC6A3NPFFR1NPFFR2
SCHEMBL314643 0.69 QDPR (0.43) QDPRCYP2D6SIGMAR1HTR2B
SCHEMBL1779650 0.67 ADRB1 (0.53) OPRM1SLC6A2SLC6A4SMN1; SMN2
SCHEMBL29566914 0.67 QDPR (0.75) QDPR
SCHEMBL24309677 0.67 QDPR (0.75) QDPR
SCHEMBL10029417 0.67 TSHR (0.34) OPRM1CYP1A2SIGMAR1HTR2B
SCHEMBL313961 0.66 HRH4 (0.42) HRH4SLC6A2SLC6A4CYP2D6SIGMAR1
SCHEMBL314100 0.66 LMNA (0.44) OPRM1HRH4SLC6A2SLC6A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093388-B2 3-aza spiro[5,5]undec-8-ene derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2012-01-10 US claimed
EP-1899301-B1 NOVEL 3-AZA-SPIRO[5.5]UNDEC-8-ENE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH AS (DK) 2010-09-15 EP claimed
US-20090036477-A1 Novel 3-Aza-Spiro[5,5]Undec-8-Ene Derivatives and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors ANIONA APS (DK) 2009-02-05 US claimed
EP-1899301-A1 NOVEL 3-AZA-SPIROÝ5.5¨UNDEC-8-ENE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2008-03-19 EP claimed
WO-2007000464-A1 NOVEL 3-AZA-SPIRO[5.5]UNDEC-8-ENE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2007-01-04 WO claimed
US-8093388-B2 3-aza spiro[5,5]undec-8-ene derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2012-01-10 US disclosed
EP-1899301-B1 NOVEL 3-AZA-SPIRO[5.5]UNDEC-8-ENE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH AS (DK) 2010-09-15 EP disclosed
US-20090036477-A1 Novel 3-Aza-Spiro[5,5]Undec-8-Ene Derivatives and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors ANIONA APS (DK) 2009-02-05 US disclosed
EP-1899301-A1 NOVEL 3-AZA-SPIROÝ5.5¨UNDEC-8-ENE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2008-03-19 EP disclosed
WO-2007000464-A1 NOVEL 3-AZA-SPIRO[5.5]UNDEC-8-ENE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2007-01-04 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-20090036477-A1 Novel 3-Aza-Spiro[5,5]Undec-8-Ene Derivatives and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors SLC18A2, SLC6A2, SLC18A3 OPRM1 194/4885HRH4 754/4885QDPR 153/4885

“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.