SCHEMBL7215873

SCHEMBL7215873

C=COc1ccc(C2=CC3CCC(C2)N3C)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.51
SLC6A4 P31645 5/20 0.51
SLC6A3 Q01959 5/20 0.51
HTR6 P50406 1/20 0.38
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32

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
SCHEMBL7210041 0.83 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3HTR6ALDH1A1
SCHEMBL7806038 0.83 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3HTR6KDM4E
SCHEMBL7809824 0.78 SLC6A3 (0.60) SLC6A2SLC6A4SLC6A3HTR6
SCHEMBL1021888 0.77 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3HTR6KMT2A
SCHEMBL1335541 0.77 SLC6A4 (0.58) SLC6A2SLC6A4SLC6A3HTR6
SCHEMBL7806031 0.76 SLC6A4 (0.80) SLC6A2SLC6A4SLC6A3HTR6KMT2A
SCHEMBL5829706 0.76 SLC6A4 (0.52) SLC6A2SLC6A4SLC6A3HTR6
Fumaric Acid SCHEMBL5194331 0.76 KDM4E (0.51) SLC6A2SLC6A4SLC6A3KDM4EGLA
Hydrochloric Acid SCHEMBL1023293 0.76 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3HTR6KMT2A
SCHEMBL1022681 0.75 SLC6A4 (0.56) SLC6A2SLC6A4SLC6A3KDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010047028-A1 Novel azabicyclo derivatives and their use ANIONA APS (DK) 2001-11-29 US claimed
EP-1149095-A1 NOVEL AZABICYCLO DERIVATIVES AND THEIR USE NEUROSEARCH A/S (DK) 2001-10-31 EP claimed
WO-2000044746-A1 NOVEL AZABICYCLO DERIVATIVES AND THEIR USE NEUROSEARCH A/S (DK) 2000-08-03 WO claimed
US-6617459-B2 8-azabicyclo(3.2.1)oct-2-ene and 9-azabicyclo(3.3.1)non-2-ene derivatives; monoamine neurotransmitter and serotonine reuptake inhibitors; radionuclide-labeled derivatives for diagnosis and detection NEUROSEARCH A/S (DK) 2003-09-09 US disclosed
US-20010047028-A1 Novel azabicyclo derivatives and their use ANIONA APS (DK) 2001-11-29 US disclosed
EP-1149095-A1 NOVEL AZABICYCLO DERIVATIVES AND THEIR USE NEUROSEARCH A/S (DK) 2001-10-31 EP disclosed
WO-2000044746-A1 NOVEL AZABICYCLO DERIVATIVES AND THEIR USE NEUROSEARCH A/S (DK) 2000-08-03 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-20010047028-A1 Novel azabicyclo derivatives and their use TACR2, TACR3, GPR68 SLC6A2 551/4885SLC6A4 519/4885SLC6A3 233/4885

“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.