SCHEMBL625403

SCHEMBL625403

N#CC1(c2ccc(Cl)cc2)CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.58
MAP4K4 O95819 1/20 0.44
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
CCR1 P32246 2/20 0.40
ALDH1A1 P00352 2/20 0.39
SCD O00767 1/20 0.38
OPRL1 P41146 1/20 0.38

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
SCHEMBL1626361 0.89 OPRM1 (0.51) OPRM1MAP4K4DRD2DRD4DRD3
SCHEMBL648009 0.86 OPRM1 (0.68) OPRM1MAP4K4DRD2DRD4DRD3
SCHEMBL15862739 0.82 OPRM1 (0.64) OPRM1MAP4K4DRD2DRD4DRD3
SCHEMBL2218 0.82 OPRM1 (0.64) OPRM1MAP4K4DRD2DRD4DRD3
SCHEMBL3237390 0.81 OPRM1 (0.40) OPRM1ALDH1A1
SCHEMBL13594179 0.81 OPRM1 (0.60) OPRM1
SCHEMBL625655 0.81 OPRM1 (0.40) OPRM1ALDH1A1
SCHEMBL3270477 0.81 OPRM1 (0.40) OPRM1ALDH1A1
SCHEMBL2131500 0.81 OPRM1 (0.58) OPRM1ALDH1A1
SCHEMBL3903587 0.81 OPRM1 (0.40) OPRM1MAP4K4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200054630-A1 BENZAMIDES-CONTAINING COMPOUNDS AND THEIR USE IN THE TREATMENT OF DEPRESSION MINDIMMUNE THERAPEUTICS, INC. 2020-02-20 US disclosed
US-10238654-B2 Benzamides-containing compounds and their use in the treatment of epilepsy MINDIMMUNE THERAPEUTICS, INC. (US) 2019-03-26 US disclosed
EP-2906546-B1 BENZAMIDES H LUNDBECK AS (DK) 2018-01-10 EP disclosed
US-20170202836-A1 Benzamides-Containing Compounds and Their Use in the Treatment of Epilepsy H. LUNDBECK A/S (DK) 2017-07-20 US disclosed
EP-2681206-B1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2017-06-14 EP disclosed
US-9649308-B2 Benzamide-containing compounds and their use in the treatment of pain H. LUNDBECK A/S (DK) 2017-05-16 US disclosed
US-9156788-B2 TRPV3 modulators ABBVIE INC. (US) 2015-10-13 US disclosed
US-20150283134-A1 Benzamides MINDIMMUNE THERAPEUTICS, INC. 2015-10-08 US disclosed
EP-2906546-A1 BENZAMIDES H. Lundbeck A/S (DK) 2015-08-19 EP disclosed
US-9102591-B2 Benzamides H. LUNDBECK A/S (DK) 2015-08-11 US disclosed
WO-2005077463-A2 LIGAND FOR A MONOAMINE RECEPTOR OR TRANSPORTER FOR TREATING ADDICTION OR DEPENDENCE SEPRACOR INC. (US) 2005-08-25 WO disclosed
US-20050080078-A1 Method of treating addiction or dependence using a ligand for a monoamine receptor or transporter SEPRACOR, INC. (US) 2005-04-14 US disclosed
US-20040235913-A1 Thiazole and other heterocyclic ligands for mammalian dopamine, muscarinic and serotonin receptors and transporters, and methods of use thereof CUNY GREGORY D (US) 2004-11-25 US disclosed
US-20040077706-A1 Ligands for monoamine receptors and transporters, and methods of use thereof AQUILA BRIAN M (US) 2004-04-22 US disclosed
US-6699866-B2 FOR THERAPY OF ADDICTION, ANXIETY, DEPRESSION, SEXUAL DYSFUNCTION, HYPERTENSION, MIGRAINE, ALZHEIMER'S DISEASE, OBESITY, EMESIS, PSYCHOSIS, ANALGESIA, SCHIZOPHRENIA, PARKINSON'S DISEASE, RESTLESS LEG SYNDROME, SLEEPING DISORDERS SEPRACOR INC. 2004-03-02 US disclosed
EP-1318988-A2 LIGANDS FOR MONOAMINE RECEPTORS AND TRANSPORTERS, AND METHODS OF USE THEREOF (NEUROTRANSMISSION) Sepracor, Inc. (US) 2003-06-18 EP disclosed
US-20030105071-A1 Thiazole and other heterocyclic ligands for mammalian dopamine, muscarinic and serotonin receptors and transporters, and methods of use thereof SEPRACOR INC. 2003-06-05 US disclosed
US-20030050309-A1 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. 2003-03-13 US disclosed
WO-2002083863-A2 THIAZOLE AND OTHER HETEROCYCLIC LIGANDS AND USE THEREOF SEPRACOR, INC. (US) 2002-10-24 WO disclosed
WO-2002022572-A2 LIGANDS FOR MONOAMINE RECEPTORS AND TRANSPORTERS, AND METHODS OF USE THEREOF (NEUROTRANSMISSION) SEPRACOR, INC. (US) 2002-03-21 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 (9 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-20050080078-A1 Method of treating addiction or dependence using a ligand for a monoamine receptor or transporter PNMT, TAAR1, OPRL1 OPRM1 6/4885MAP4K4 2118/4885DRD2 37/4885
US-20200054630-A1 BENZAMIDES-CONTAINING COMPOUNDS AND THEIR USE IN THE TREATMENT OF DEPRESSION P2RX5, P2RX7, P2RX2 OPRM1 513/4885MAP4K4 3196/4885DRD2 329/4885
US-20030050309-A1 Ligands for monoamine receptors and transporters, and methods of use thereof SLC6A2, OPRL1, SLC18A2 OPRM1 22/4885MAP4K4 3535/4885DRD2 134/4885
US-20040235913-A1 Thiazole and other heterocyclic ligands for mammalian dopamine, muscarinic and serotonin receptors and transporters, and methods of use thereof HTR5A, OPRL1, HTR2C OPRM1 40/4885MAP4K4 3293/4885DRD2 44/4885
US-10238654-B2 Benzamides-containing compounds and their use in the treatment of epilepsy P2RX5, P2RX7, P2RX6 OPRM1 1643/4885MAP4K4 3458/4885DRD2 1448/4885
US-20170202836-A1 Benzamides-Containing Compounds and Their Use in the Treatment of Epilepsy P2RX5, P2RX7, P2RX6 OPRM1 1643/4885MAP4K4 3458/4885DRD2 1448/4885
US-20040077706-A1 Ligands for monoamine receptors and transporters, and methods of use thereof SLC6A2, OPRL1, SLC18A2 OPRM1 22/4885MAP4K4 3535/4885DRD2 134/4885
US-20030105071-A1 Thiazole and other heterocyclic ligands for mammalian dopamine, muscarinic and serotonin receptors and transporters, and methods of use thereof HTR5A, OPRL1, HTR2C OPRM1 40/4885MAP4K4 3293/4885DRD2 44/4885
US-20150283134-A1 Benzamides P2RX7, TRPV1, P2RX5 OPRM1 363/4885MAP4K4 3763/4885DRD2 1575/4885

“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.