SCHEMBL4384293

SCHEMBL4384293

COC(=O)c1c(C2CC3CCC(C2)N3C)ccc(Cl)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.43
CYP2D6 P10635 2/20 0.42
LMNA P02545 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC6A4 P31645 7/20 0.42
SLC6A2 P23975 4/20 0.41
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
GMNN O75496 1/20 0.40
HTR3B O95264 1/20 0.40
CYP1A2 P05177 1/20 0.40
ALOX15 P16050 1/20 0.40
MTOR P42345 1/20 0.40
HTR3A P46098 1/20 0.40
PMP22 Q01453 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL7440323 0.72 HTR3A (0.45) SLC6A3SLC6A4SLC6A2HTR3A
SCHEMBL15565811 0.69 SLC6A3 (0.51) SLC6A3CYP2D6LMNACYP2C19TSHR
SCHEMBL5635845 0.68 HTR4 (0.40) SLC6A3CYP2D6LMNACYP2C19SLC6A4
SCHEMBL5787520 0.68 HTR3E (0.59) CYP2D6LMNACYP2C19SLC6A4TSHR
SCHEMBL15570703 0.67 TAS1R3 (0.47) SLC6A3CYP2D6LMNACYP2C19TSHR
SCHEMBL15569289 0.67 TAS1R3 (0.46) SLC6A3CYP2D6LMNACYP2C19TSHR
SCHEMBL10951814 0.67 KDM4E (0.64) SLC6A3CYP2D6LMNACYP2C19TSHR
SCHEMBL15570469 0.66 MEN1 (0.48) SLC6A3CYP2D6LMNACYP2C19TSHR
SCHEMBL23239837 0.65 SLC6A4 (0.43) SLC6A3CYP2D6LMNACYP2C19SLC6A4
SCHEMBL23239842 0.65 SLC6A4 (0.43) SLC6A3CYP2D6LMNACYP2C19SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1493744-B1 Tropane analogs and methods for inhibition of monoamine transport ORGANIX INC (US) 2009-11-25 EP disclosed
EP-1493744-A1 Tropane analogs and methods for inhibition of monoamine transport ORGANIX, INC. (US) 2005-01-05 EP disclosed
EP-0996619-B1 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 SLC6A3 4/4885CYP2D6 126/4885LMNA 3616/4885
US-20020010207-A1 Tropane analogs and methods for inhibition of monoamine transport SLC6A2, SLC6A4, SLC6A3 SLC6A3 3/4885CYP2D6 108/4885LMNA 3702/4885

“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.