SCHEMBL962394

SCHEMBL962394

BrCCOc1cccc2c1OCCO2

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.58
HTR1A P08908 13/20 0.45
SLC6A4 P31645 7/20 0.44
CTNNB1 P35222 1/20 0.42
WNT3A P56704 1/20 0.42
CXCR2 P25025 1/20 0.41
ADRA1A P35348 2/20 0.40
DRD2 P14416 1/20 0.40
MTNR1B P49286 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
SCHEMBL6597071 0.92 MTNR1A (0.59) MTNR1AHTR1ASLC6A4CTNNB1WNT3A
SCHEMBL7522246 0.90 MTNR1A (0.60) MTNR1AHTR1ASLC6A4CTNNB1WNT3A
SCHEMBL6575956 0.83 MTNR1A (0.58) MTNR1AHTR1ASLC6A4CTNNB1WNT3A
SCHEMBL7481895 0.83 MTNR1A (0.58) MTNR1AHTR1ASLC6A4CTNNB1WNT3A
SCHEMBL13202088 0.83 MTNR1A (0.65) MTNR1AHTR1ASLC6A4CTNNB1WNT3A
SCHEMBL8667866 0.83 MTNR1A (0.58) MTNR1AHTR1ASLC6A4CTNNB1WNT3A
SCHEMBL8584312 0.83 MTNR1A (0.60) MTNR1AHTR1ASLC6A4CTNNB1WNT3A
SCHEMBL6173819 0.82 MTNR1A (0.59) MTNR1AHTR1ASLC6A4CTNNB1WNT3A
SCHEMBL13534264 0.82 MTNR1A (0.64) MTNR1AHTR1ASLC6A4CTNNB1WNT3A
SCHEMBL13197080 0.81 MTNR1A (0.59) MTNR1AHTR1ASLC6A4CTNNB1WNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024349-B1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2017-08-02 EP disclosed
EP-2828238-B1 SULPHONAMIDE DERIVATIVES OF BENZYLAMINE FOR THE TREATMENT OF CNS DISEASES ADAMED SP ZOO (PL) 2016-05-25 EP disclosed
US-20150231141-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2015-08-20 US disclosed
US-9006275-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBVIE INC. (US) 2015-04-14 US disclosed
US-20150051257-A1 SULPHONAMIDE DERIVATIVES OF BENZYLAMINE FOR THE TREATMENT OF CNS DISEASES ADAMED SP. ZO.O (PL) 2015-02-19 US disclosed
EP-2828238-A1 SULPHONAMIDE DERIVATIVES OF BENZYLAMINE FOR THE TREATMENT OF CNS DISEASES Adamed Sp. z o.o. (PL) 2015-01-28 EP disclosed
US-20140135310-A1 SULPHONAMIDE DERIVATIVES OF ALICYCLIC AMINES FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES ADAMED SP. Z O.O. (PL) 2014-05-15 US disclosed
EP-2726476-A2 SULPHONAMIDE DERIVATIVES OF ALICYCLIC AMINES FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES Adamed sp. z o.o. (PL) 2014-05-07 EP disclosed
WO-2013140347-A1 SULPHONAMIDE DERIVATIVES OF BENZYLAMINE FOR THE TREATMENT OF CNS DISEASES ADAMED SP. Z O.O. (PL) 2013-09-26 WO disclosed
WO-2013001505-A2 SULPHONAMIDE DERIVATIVES OF ALICYCLIC AMINES FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES ADAMED SP. Z O.O. (PL) 2013-01-03 WO disclosed
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-04-14 US disclosed
US-7875639-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBOTT LABORATORIES (US) 2011-01-25 US disclosed
US-20080064699-A1 Such as N-[3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene]adamantane-1-carboxamide; neuropathic, nociceptive and/or inflammatory pain; neuroprotection ABBVIE INC. 2008-03-13 US disclosed
EP-0873993-B1 Heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2002-02-20 EP disclosed
WO-2001017993-A1 ALKYLPIPERIDI NYLBENZO [D] ISOXAZOLE DERIVATIVES HAVING PSYCHOTROPIC ACTIVITY, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND A PROCESS FOR THE PREPARATION OF THE ACTIVE INGREDIENT EGIS Gyógyszergyár Rt. (HU) 2001-03-15 WO disclosed
US-5919814-A Heterocyclic compounds ADIR ET COMPAGNIE (FR) 1999-07-06 US disclosed
EP-0873993-A1 Heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-10-28 EP 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 (5 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-20150051257-A1 SULPHONAMIDE DERIVATIVES OF BENZYLAMINE FOR THE TREATMENT OF CNS DISEASES AQP4, BCL6, STS MTNR1A 810/4885HTR1A 742/4885SLC6A4 128/4885
US-20150231141-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 MTNR1A 227/4885HTR1A 141/4885SLC6A4 579/4885
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 MTNR1A 227/4885HTR1A 141/4885SLC6A4 579/4885
US-20140135310-A1 SULPHONAMIDE DERIVATIVES OF ALICYCLIC AMINES FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES DDC, INA, SCN5A MTNR1A 1058/4885HTR1A 646/4885SLC6A4 137/4885
US-20080064699-A1 Such as N-[3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene]adamantane-1-carboxamide; neuropathic, nociceptive and/or inflammatory pain; neuroprotection OPRL1, OPRK1, OPRD1 MTNR1A 149/4885HTR1A 136/4885SLC6A4 860/4885

“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.