SCHEMBL527574

SCHEMBL527574

COC(=O)C1CN(C)CCC1c1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.76
SLC6A4 P31645 5/20 0.76
SLC6A3 Q01959 5/20 0.76

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
SCHEMBL3829085 1.00 SLC6A2 (0.76) SLC6A2SLC6A4SLC6A3
SCHEMBL13979133 1.00 SLC6A2 (0.76) SLC6A2SLC6A4SLC6A3
SCHEMBL16108247 1.00 SLC6A2 (0.76) SLC6A2SLC6A4SLC6A3
SCHEMBL6057408 1.00 SLC6A2 (0.76) SLC6A2SLC6A4SLC6A3
SCHEMBL7086274 1.00 SLC6A2 (0.76) SLC6A2SLC6A4SLC6A3
SCHEMBL13979141 1.00 SLC6A2 (0.76) SLC6A2SLC6A4SLC6A3
SCHEMBL1086468 1.00 SLC6A2 (0.76) SLC6A2SLC6A4SLC6A3
SCHEMBL6831510 0.88 SLC6A2 (0.78) SLC6A2SLC6A4SLC6A3
SCHEMBL6831507 0.88 SLC6A2 (0.78) SLC6A2SLC6A4SLC6A3
SCHEMBL12992774 0.87 ALDH1A1 (0.64) SLC6A2SLC6A4SLC6A3

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975595-B9 ANALOGS OF COCAINE UNIV GEORGETOWN (US) 2009-09-16 EP claimed
EP-0975595-B1 ANALOGS OF COCAINE UNIV GEORGETOWN (US) 2009-06-17 EP claimed
US-20030144322-A1 Analogs of cocaine NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-07-31 US claimed
US-20030144289-A1 Monomeric and dimeric heterocycles, and therapeutic uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-07-31 US claimed
US-20020055521-A1 Analogs of cocaine NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-05-09 US claimed
US-6180648-B1 Analogs of cocaine BIOSTREAM THERAPEUTICS, INC. 2001-01-30 US claimed
US-10087166-B2 Cyclic amine azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2018-10-02 US disclosed
US-20170129877-A1 Cyclic Amine Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2017-05-11 US disclosed
US-9630929-B2 Benzenesulfonamide compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2017-04-25 US disclosed
US-9586938-B2 Cyclic amine azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2017-03-07 US disclosed
EP-2773637-B1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2016-06-08 EP disclosed
US-20140296245-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS, INC. (CA) 2014-10-02 US disclosed
US-20130217709-A1 Cyclic Amine Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2013-08-22 US disclosed
EP-1102751-A1 NOVEL BI- AND TRI-CYCLIC AZA COMPOUNDS AND THEIR USES Georgetown University (US) 2001-05-30 EP disclosed
US-6180648-B1 Analogs of cocaine BIOSTREAM THERAPEUTICS, INC. 2001-01-30 US disclosed
US-6150376-A TROPANE-DERIVED MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS EXHIBIT SELECTIVITY FOR EITHER THE SEROTONIN OR DOPAMINE TRANSPORTER; SIDE-EFFECT REDUCTION; ANTIDEPRESSANTS, COGNITION ACTIVATORS; PSYCHOLOGICAL DISORDERS GEORGETOWN UNIVERSITY (US) 2000-11-21 US disclosed
WO-2000020390-A1 MONOMERIC AND DIMERIC HETEROCYCLES, AND THERAPEUTIC USES THEREOF GEORGETOWN UNIVERSITY (US) 2000-04-13 WO disclosed
WO-2000007994-A1 NOVEL BI- AND TRI-CYCLIC AZA COMPOUNDS AND THEIR USES GEORGETOWN UNIVERSITY (US) 2000-02-17 WO disclosed
EP-0975595-A1 ANALOGS OF COCAINE GEORGETOWN UNIVERSITY (US) 2000-02-02 EP disclosed
WO-1998045263-A1 ANALOGS OF COCAINE GEORGETOWN UNIVERSITY (US) 1998-10-15 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 (7 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-20020055521-A1 Analogs of cocaine CES2, OPRM1, OPRD1 SLC6A2 105/4885SLC6A4 358/4885SLC6A3 20/4885
US-20030144289-A1 Monomeric and dimeric heterocycles, and therapeutic uses thereof HAX1, MLX, XDH SLC6A2 258/4885SLC6A4 631/4885SLC6A3 85/4885
US-20130217709-A1 Cyclic Amine Azaheterocyclic Carboxamides MKI67, AZI2, PCNA SLC6A2 3922/4885SLC6A4 4662/4885SLC6A3 4371/4885
US-20170129877-A1 Cyclic Amine Azaheterocyclic Carboxamides MKI67, AZI2, PCNA SLC6A2 3922/4885SLC6A4 4662/4885SLC6A3 4371/4885
US-20140296245-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV1, TRPA1, TRPV3 SLC6A2 122/4885SLC6A4 168/4885SLC6A3 186/4885
US-20030144322-A1 Analogs of cocaine CES2, OPRM1, OPRD1 SLC6A2 105/4885SLC6A4 358/4885SLC6A3 20/4885
US-10087166-B2 Cyclic amine azaheterocyclic carboxamides MKI67, AZI2, PCNA SLC6A2 3922/4885SLC6A4 4662/4885SLC6A3 4371/4885

“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.