SCHEMBL2844733

SCHEMBL2844733

NC1[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.53
SIGMAR1 Q99720 1/20 0.50
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
ACHE P22303 3/20 0.49
BCHE P06276 2/20 0.49
BACE1 P56817 2/20 0.49
GRIN2B Q13224 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CCR3 P51677 1/20 0.47

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
SCHEMBL21777836 1.00 FUCA1 (0.53) FUCA1SIGMAR1DRD2DRD3ACHE
SCHEMBL2844736 1.00 FUCA1 (0.53) FUCA1SIGMAR1DRD2DRD3ACHE
SCHEMBL21777835 1.00 FUCA1 (0.53) FUCA1SIGMAR1DRD2DRD3ACHE
SCHEMBL21773216 1.00 FUCA1 (0.53) FUCA1SIGMAR1DRD2DRD3ACHE
SCHEMBL21777837 1.00 FUCA1 (0.53) FUCA1SIGMAR1DRD2DRD3ACHE
SCHEMBL21777260 1.00 FUCA1 (0.53) FUCA1SIGMAR1DRD2DRD3ACHE
SCHEMBL21773211 1.00 FUCA1 (0.53) FUCA1SIGMAR1DRD2DRD3ACHE
SCHEMBL6616536 0.93 FUCA1 (0.50) FUCA1SIGMAR1DRD2DRD3ACHE
SCHEMBL5071734 0.90 ACHE (0.55) SIGMAR1DRD2DRD3ACHEBCHE
SCHEMBL4090277 0.89 KDM1A (0.54) FUCA1SIGMAR1DRD2DRD3ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112638898-B Heteroaryl substituted sulfonamide compounds and their use as sodium channel inhibitors 泽农医药公司 2024-04-09 CN disclosed
CN-112638898-A Heteroaryl substituted sulfonamide compounds and their use as sodium channel inhibitors 泽农医药公司 2021-04-09 CN disclosed
US-10752623-B2 Heteroaryl-substituted sulfonamide compounds and their use as sodium channel inhibitors XENON PHARMACEUTICALS INC. (CA) 2020-08-25 US disclosed
US-20200071313-A1 HETEROARYL-SUBSTITUTED SULFONAMIDE COMPOUNDS AND THEIR USE AS SODIUM CHANNEL INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2020-03-05 US disclosed
EP-2470021-B1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2014-10-22 EP disclosed
US-8354403-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 US disclosed
US-20100160328-A1 NEW COMPOUNDS USEFUL FOR DPP-IV ENZYME INHIBITION SANOFI-AVENTIS (FR) 2010-06-24 US disclosed
US-7652021-B2 (2S)-4,4-difluoro-1-{N-[3-(pyrimidin-2-ylamino)-1-adamantyl]glycyl}pyrrolidine-2-carbonitrile; dipeptidyl peptidase IV enzyme inhibitors; non-insulin dependent diabetes mellitus SANOFI-AVENTIS (FR) 2010-01-26 US disclosed
EP-1664031-B1 ADAMANTANE AND AZABICYCLO-OCTANE AND NONANE DERIVATIVES PROCESS OF THEIR PREPARATION AND THEIR USE AS DPP-IV INHIBITORS SANOFI AVENTIS (FR) 2007-12-19 EP disclosed
US-20060276487-A1 New compounds useful for DPP-IV enzyme inhibition SANOFI-AVENTIS (FR) 2006-12-07 US disclosed
EP-1664031-A2 ADAMANTANE AND AZABICYCLO-OCTANE AND NONANE DERIVATIVES PROCESS OF THEIR PREPARATION AND THEIR USE AS DPP-IV INHIBITORS Sanofi-Aventis (FR) 2006-06-07 EP disclosed
WO-2005021536-A2 ADAMANTANE AND AZABICYCLO-OCTANE AND NONANE DERIVATIVES, PROCESS OF THEIR PREPARATION AND THEIR USE AS DPP-IV INHIBITORS SANOFI-AVENTIS (FR) 2005-03-10 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 (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-20200071313-A1 HETEROARYL-SUBSTITUTED SULFONAMIDE COMPOUNDS AND THEIR USE AS SODIUM CHANNEL INHIBITORS SCN1A, SCN2A, SCN2B FUCA1 4123/4885SIGMAR1 1467/4885DRD2 2556/4885
US-10752623-B2 Heteroaryl-substituted sulfonamide compounds and their use as sodium channel inhibitors SCN1A, SCN2A, SCN2B FUCA1 4123/4885SIGMAR1 1467/4885DRD2 2556/4885
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 FUCA1 2379/4885SIGMAR1 152/4885DRD2 162/4885
US-20060276487-A1 New compounds useful for DPP-IV enzyme inhibition DPP4, DPP7, DPP9 FUCA1 845/4885SIGMAR1 3847/4885DRD2 2579/4885
US-20100160328-A1 NEW COMPOUNDS USEFUL FOR DPP-IV ENZYME INHIBITION DPP4, DPP7, DPP9 FUCA1 845/4885SIGMAR1 3847/4885DRD2 2579/4885

“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.