SCHEMBL314100

SCHEMBL314100

CN1CCC2(CC=C(c3cc4ccccc4o3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
RAB9A P51151 2/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HRH4 Q9H3N8 1/20 0.42
MAPKAPK2 P49137 1/20 0.42
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
METAP2 P50579 1/20 0.37
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36

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
Fumaric Acid SCHEMBL314190 0.90 HRH4 (0.43) LMNARAB9AHPGDNPC1SMN1; SMN2
SCHEMBL313493 0.83 BCHE (0.43) RAB9AHPGDNPC1MAPKAPK2CHRM2
Trifluoroacetic Acid SCHEMBL313993 0.76 BACE1 (0.39) RAB9AHPGDNPC1SMN1; SMN2MAPKAPK2
SCHEMBL10901794 0.76 NPC1 (0.46) LMNARAB9AHPGDNPC1SMN1; SMN2
SCHEMBL313961 0.72 HRH4 (0.42) HRH4CHRM2CHRM4CHRM5CHRM1
SCHEMBL3928656 0.72 MEN1 (0.39) LMNAHPGDSMN1; SMN2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL735112 0.71 MEN1 (0.39) LMNAHPGDSMN1; SMN2KDM4EALDH1A1
SCHEMBL314191 0.71 HRH4 (0.36) LMNARAB9AHPGDNPC1SMN1; SMN2
SCHEMBL10900184 0.70 RAB9A (0.46) LMNARAB9AHPGDNPC1SMN1; SMN2
SCHEMBL2085345 0.68 MAOB (0.45) RAB9AHPGDNPC1SMN1; SMN2CHRM2

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 LMNA 4123/4885RAB9A 532/4885HPGD 921/4885

“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.