SCHEMBL6363397

SCHEMBL6363397

COCOC1CC2CC(c3ccccc3F)=C(C(=O)OC)C1N2

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
SLC6A3 Q01959 5/20 0.32
ATM Q13315 1/20 0.32
CHRM3 P20309 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SLC6A4 P31645 2/20 0.31
BDKRB1 P46663 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL6361771 0.88 HTR3E (0.36) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6359400 0.83 SLC6A3 (0.48) SLC6A3SLC6A4
SCHEMBL6358146 0.76 SLC6A3 (0.51) SLC6A3SLC6A4
SCHEMBL6358705 0.70 SLC6A3 (0.53) SLC6A3SLC6A4
SCHEMBL7129040 0.65 SLC6A3 (0.38) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6359164 0.65 SLC6A3 (0.38) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7036436 0.65 SLC6A3 (0.38) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6357044 0.65 SLC6A3 (0.38) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5395708 0.61 SLC6A3 (0.56) SLC6A3SLC6A4
SCHEMBL5404240 0.60 SLC6A3 (0.55) SLC6A3SLC6A4

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
EP-0996619-B1 TROPANE ANALOGS AND METHODS FOR INHIBITION OF MONOAMINE TRANSPORT ORGANIX INC (US) 2005-01-05 EP disclosed
EP-1493744-A1 Tropane analogs and methods for inhibition of monoamine transport ORGANIX, INC. (US) 2005-01-05 EP disclosed
US-6670375-B2 Particularly, 8-aza-, 8-carbo- and 8-oxo- tropanes having 6-or 7-substituents; preferred are the dopamine transporter, the serotonin transporter and the norepinephrine transporter. ORGANIX, INC. 2003-12-30 US disclosed
US-20030069269-A1 Tropane analogs and methods for inhibition of monoamine NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-04-10 US disclosed
US-6417221-B1 SEROTONIN REUPTAKE INHIBITORS OR ANTISEROTONIN AGENTS ORGANIX, INC. 2002-07-09 US disclosed
US-6353105-B1 INHIBITORS OF 5-HYDROXY-TRYPTAMINE REUPTAKE OF A MONOAMINE TRANSPORTER; ANALOGS OF COCAINE; ORGANIX, INC. 2002-03-05 US disclosed
US-20020010207-A1 Tropane analogs and methods for inhibition of monoamine transport WILMINGTON TRUST (LONDON) LIMITED, AS SECURITY AGENT (GB) 2002-01-24 US disclosed
EP-0996619-A1 TROPANE ANALOGS AND METHODS FOR INHIBITION OF MONOAMINE TRANSPORT ORGANIX, INC. (US) 2000-05-03 EP disclosed
US-5948933-A THERAPY FOR DRUG ABRUSE ORGANIX, INC. (US) 1999-09-07 US disclosed
WO-1999002526-A1 TROPANE ANALOGS AND METHODS FOR INHIBITION OF MONOAMINE TRANSPORT ORGANIX, INC. (US) 1999-01-21 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 (2 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-20030069269-A1 Tropane analogs and methods for inhibition of monoamine SLC6A2, SLC6A4, SLC18A2 HTR3E 70/4885HTR3B 60/4885HTR3A 11/4885
US-20020010207-A1 Tropane analogs and methods for inhibition of monoamine transport SLC6A2, SLC6A4, SLC6A3 HTR3E 70/4885HTR3B 52/4885HTR3A 12/4885

“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.