SCHEMBL314029

SCHEMBL314029

Clc1ccc(C2=CCC3(CCNCC3)CC2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.38
SLC6A2 P23975 10/20 0.37
SLC6A4 P31645 10/20 0.37
NPFFR1 Q9GZQ6 1/20 0.36
NPFFR2 Q9Y5X5 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
SLC6A3 Q01959 2/20 0.35
HTR2C P28335 4/20 0.35
HTR2A P28223 1/20 0.35
HTR2B P41595 1/20 0.35
ADRB1 P08588 1/20 0.35
CYP1B1 Q16678 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
SCHEMBL313959 0.84 SIGMAR1 (0.51) SIGMAR1HTR2CHTR2AHTR2BADRB1
SCHEMBL314643 0.84 QDPR (0.43) SIGMAR1HTR2CHTR2AHTR2B
SCHEMBL314110 0.81 OPRM1 (0.41) AHRSLC6A2SLC6A4NPFFR1NPFFR2
SCHEMBL314098 0.81 HTR2C (0.57) SLC6A4SIGMAR1HTR2CHTR2AHTR2B
SCHEMBL315774 0.78 NISCH (0.38) SLC6A2SLC6A4SIGMAR1SLC6A3
SCHEMBL23484640 0.76 SUV39H2 (0.45) AHRSLC6A4NPFFR1NPFFR2SLC6A3
SCHEMBL314497 0.75 HTR7 (0.39) HTR2CHTR2BADRB1
SCHEMBL314300 0.73 NISCH (0.43) HTR2CHTR2A
SCHEMBL3385014 0.72 SIGMAR1 (0.68) AHRSIGMAR1HTR2CHTR2A
SCHEMBL314449 0.72 ADRB1 (0.36) HTR2CHTR2AHTR2BADRB1

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 AHR 1326/4885SLC6A2 2/4885SLC6A4 5/4885

“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.